(2R)-1-[cyclohexyl(methyl)amino]-3-[4-[[3-(dimethylamino)propyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol

C24H43N3O3 — CID 42121468

IUPAC(2R)-1-[cyclohexyl(methyl)amino]-3-[4-[[3-(dimethylamino)propyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol
SMILESCOc1cc(CN(C)CCCN(C)C)ccc1OC[C@H](O)CN(C)C1CCCCC1
InChIInChI=1S/C24H43N3O3/c1-25(2)14-9-15-26(3)17-20-12-13-23(24(16-20)29-5)30-19-22(28)18-27(4)21-10-7-6-8-11-21/h12-13,16,21-22,28H,6-11,14-15,17-19H2,1-5H3/t22-/m1/s1
InChIKeyCJNPPHHHSKSXIX-JOCHJYFZSA-N
MW421.63 g/mol
LogP3.08
Rot. Bonds13

About (2R)-1-[cyclohexyl(methyl)amino]-3-[4-[[3-(dimethylamino)propyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol

(2R)-1-[cyclohexyl(methyl)amino]-3-[4-[[3-(dimethylamino)propyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol (PubChem CID 42121468) has the molecular formula C24H43N3O3 and a molecular weight of 421.63 g/mol. Its IUPAC name is (2R)-1-[cyclohexyl(methyl)amino]-3-[4-[[3-(dimethylamino)propyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[cyclohexyl(methyl)amino]-3-[4-[[3-(dimethylamino)propyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol
PubChem CID42121468
Molecular FormulaC24H43N3O3
Molecular Weight421.63 g/mol
Exact Mass421.33
IUPAC Name(2R)-1-[cyclohexyl(methyl)amino]-3-[4-[[3-(dimethylamino)propyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol
SMILESCOc1cc(CN(C)CCCN(C)C)ccc1OC[C@H](O)CN(C)C1CCCCC1
InChIInChI=1S/C24H43N3O3/c1-25(2)14-9-15-26(3)17-20-12-13-23(24(16-20)29-5)30-19-22(28)18-27(4)21-10-7-6-8-11-21/h12-13,16,21-22,28H,6-11,14-15,17-19H2,1-5H3/t22-/m1/s1
InChIKeyCJNPPHHHSKSXIX-JOCHJYFZSA-N
XLogP3.08
TPSA48.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.63
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[cyclohexyl(methyl)amino]-3-[4-[[3-(dimethylamino)propyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol with MolForge

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Related Compounds

1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[2-methoxyethyl(methyl)amino]methyl]phenoxy]propan-2-ol
CID 45176941
1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]propan-2-ol
CID 45252406
1-[cyclohexyl(methyl)amino]-3-[4-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 45251859
(2S)-1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenoxy]propan-2-ol
CID 42530651
1-[4-[[3-(dimethylamino)propyl-methylamino]methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol
CID 45234175
(2S)-1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propan-2-ol
CID 26402885
(2R)-1-[cyclohexyl(methyl)amino]-3-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 42191908
1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenoxy]propan-2-ol
CID 45233109
(2S)-1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-(piperidin-1-ylmethyl)phenoxy]propan-2-ol
CID 97279782
1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 45211468
1-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl-methylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132778982
4-[[[4-[(2S)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]-3-methoxyphenyl]methylamino]methyl]hepta-1,6-dien-4-ol
CID 42566976

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[cyclohexyl(methyl)amino]-3-[4-[[3-(dimethylamino)propyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol?
The IUPAC name of (2R)-1-[cyclohexyl(methyl)amino]-3-[4-[[3-(dimethylamino)propyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol (CID 42121468) is (2R)-1-[cyclohexyl(methyl)amino]-3-[4-[[3-(dimethylamino)propyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-[cyclohexyl(methyl)amino]-3-[4-[[3-(dimethylamino)propyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol?
The canonical SMILES for (2R)-1-[cyclohexyl(methyl)amino]-3-[4-[[3-(dimethylamino)propyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol is COc1cc(CN(C)CCCN(C)C)ccc1OC[C@H](O)CN(C)C1CCCCC1.
What is the InChIKey of (2R)-1-[cyclohexyl(methyl)amino]-3-[4-[[3-(dimethylamino)propyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol?
The InChIKey is CJNPPHHHSKSXIX-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H43N3O3/c1-25(2)14-9-15-26(3)17-20-12-13-23(24(16-20)29-5)30-19-22(28)18-27(4)21-10-7-6-8-11-21/h12-13,16,21-22,28H,6-11,14-15,17-19H2,1-5H3/t22-/m1/s1.
What are the key properties of (2R)-1-[cyclohexyl(methyl)amino]-3-[4-[[3-(dimethylamino)propyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol?
(2R)-1-[cyclohexyl(methyl)amino]-3-[4-[[3-(dimethylamino)propyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol has a molecular weight of 421.63 g/mol, XLogP of 3.08, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[cyclohexyl(methyl)amino]-3-[4-[[3-(dimethylamino)propyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol is sourced from PubChem (CID 42121468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).