1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]propan-2-ol

C24H42N2O3 — CID 45252406

IUPAC1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]propan-2-ol
SMILESCOc1cc(CN(C)CCC(C)C)ccc1OCC(O)CN(C)C1CCCCC1
InChIInChI=1S/C24H42N2O3/c1-19(2)13-14-25(3)16-20-11-12-23(24(15-20)28-5)29-18-22(27)17-26(4)21-9-7-6-8-10-21/h11-12,15,19,21-22,27H,6-10,13-14,16-18H2,1-5H3
InChIKeyTVRIXAWSJGNZLL-UHFFFAOYSA-N
MW406.61 g/mol
LogP4.18
Rot. Bonds12

About 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]propan-2-ol

1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]propan-2-ol (PubChem CID 45252406) has the molecular formula C24H42N2O3 and a molecular weight of 406.61 g/mol. Its IUPAC name is 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]propan-2-ol
PubChem CID45252406
Molecular FormulaC24H42N2O3
Molecular Weight406.61 g/mol
Exact Mass406.32
IUPAC Name1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]propan-2-ol
SMILESCOc1cc(CN(C)CCC(C)C)ccc1OCC(O)CN(C)C1CCCCC1
InChIInChI=1S/C24H42N2O3/c1-19(2)13-14-25(3)16-20-11-12-23(24(15-20)28-5)29-18-22(27)17-26(4)21-9-7-6-8-10-21/h11-12,15,19,21-22,27H,6-10,13-14,16-18H2,1-5H3
InChIKeyTVRIXAWSJGNZLL-UHFFFAOYSA-N
XLogP4.18
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.61
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]propan-2-ol with MolForge

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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-[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
(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
(2S)-1-[2-methoxy-5-[[methyl(3-methylbutyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 25456877
1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 45211468
1-[4-[[3-(dimethylamino)propyl-methylamino]methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol
CID 45234175
(2R)-1-[2-methoxy-4-[[methyl(thian-4-yl)amino]methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol
CID 97281245

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]propan-2-ol?
The IUPAC name of 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]propan-2-ol (CID 45252406) is 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]propan-2-ol is COc1cc(CN(C)CCC(C)C)ccc1OCC(O)CN(C)C1CCCCC1.
What is the InChIKey of 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]propan-2-ol?
The InChIKey is TVRIXAWSJGNZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O3/c1-19(2)13-14-25(3)16-20-11-12-23(24(15-20)28-5)29-18-22(27)17-26(4)21-9-7-6-8-10-21/h11-12,15,19,21-22,27H,6-10,13-14,16-18H2,1-5H3.
What are the key properties of 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]propan-2-ol?
1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]propan-2-ol has a molecular weight of 406.61 g/mol, XLogP of 4.18, 12 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-[2-methoxy-4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]propan-2-ol is sourced from PubChem (CID 45252406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).