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

C20H34N2O3 — CID 45251859

IUPAC1-[cyclohexyl(methyl)amino]-3-[4-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol
SMILESCOc1cc(CN(C)C)ccc1OCC(O)CN(C)C1CCCCC1
InChIInChI=1S/C20H34N2O3/c1-21(2)13-16-10-11-19(20(12-16)24-4)25-15-18(23)14-22(3)17-8-6-5-7-9-17/h10-12,17-18,23H,5-9,13-15H2,1-4H3
InChIKeyHNNABIJFEZPISZ-UHFFFAOYSA-N
MW350.50 g/mol
LogP2.76
Rot. Bonds9

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

1-[cyclohexyl(methyl)amino]-3-[4-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol (PubChem CID 45251859) has the molecular formula C20H34N2O3 and a molecular weight of 350.50 g/mol. Its IUPAC name is 1-[cyclohexyl(methyl)amino]-3-[4-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[cyclohexyl(methyl)amino]-3-[4-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol
PubChem CID45251859
Molecular FormulaC20H34N2O3
Molecular Weight350.50 g/mol
Exact Mass350.26
IUPAC Name1-[cyclohexyl(methyl)amino]-3-[4-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol
SMILESCOc1cc(CN(C)C)ccc1OCC(O)CN(C)C1CCCCC1
InChIInChI=1S/C20H34N2O3/c1-21(2)13-16-10-11-19(20(12-16)24-4)25-15-18(23)14-22(3)17-8-6-5-7-9-17/h10-12,17-18,23H,5-9,13-15H2,1-4H3
InChIKeyHNNABIJFEZPISZ-UHFFFAOYSA-N
XLogP2.76
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[cyclohexyl(methyl)amino]-3-[4-[[3-(dimethylamino)propyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol
CID 42121468
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
(2R)-1-[cyclohexyl(methyl)amino]-3-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 42191908
(2S)-1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-(piperidin-1-ylmethyl)phenoxy]propan-2-ol
CID 97279782
(2S)-1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenoxy]propan-2-ol
CID 42530651
(2S)-1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propan-2-ol
CID 26402885
1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenoxy]propan-2-ol
CID 45233109
1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 45211468
4-[[[4-[(2S)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]-3-methoxyphenyl]methylamino]methyl]hepta-1,6-dien-4-ol
CID 42566976
1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]propan-2-ol
CID 45203324
1-[cyclohexyl(methyl)amino]-3-[4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenoxy]propan-2-ol
CID 45241948

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(methyl)amino]-3-[4-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol?
The IUPAC name of 1-[cyclohexyl(methyl)amino]-3-[4-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol (CID 45251859) is 1-[cyclohexyl(methyl)amino]-3-[4-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol.
What is the SMILES notation for 1-[cyclohexyl(methyl)amino]-3-[4-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol?
The canonical SMILES for 1-[cyclohexyl(methyl)amino]-3-[4-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol is COc1cc(CN(C)C)ccc1OCC(O)CN(C)C1CCCCC1.
What is the InChIKey of 1-[cyclohexyl(methyl)amino]-3-[4-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol?
The InChIKey is HNNABIJFEZPISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O3/c1-21(2)13-16-10-11-19(20(12-16)24-4)25-15-18(23)14-22(3)17-8-6-5-7-9-17/h10-12,17-18,23H,5-9,13-15H2,1-4H3.
What are the key properties of 1-[cyclohexyl(methyl)amino]-3-[4-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol?
1-[cyclohexyl(methyl)amino]-3-[4-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol has a molecular weight of 350.50 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(methyl)amino]-3-[4-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol is sourced from PubChem (CID 45251859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).