1-[(3,4-dimethylcyclohexyl)amino]-3-phenylmethoxypropan-2-ol

C18H29NO2 — CID 64742870

IUPAC1-[(3,4-dimethylcyclohexyl)amino]-3-phenylmethoxypropan-2-ol
SMILESCC1CCC(NCC(O)COCc2ccccc2)CC1C
InChIInChI=1S/C18H29NO2/c1-14-8-9-17(10-15(14)2)19-11-18(20)13-21-12-16-6-4-3-5-7-16/h3-7,14-15,17-20H,8-13H2,1-2H3
InChIKeyGXEHTVXLOMEMDP-UHFFFAOYSA-N
MW291.43 g/mol
LogP2.98
Rot. Bonds7

About 1-[(3,4-dimethylcyclohexyl)amino]-3-phenylmethoxypropan-2-ol

1-[(3,4-dimethylcyclohexyl)amino]-3-phenylmethoxypropan-2-ol (PubChem CID 64742870) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 1-[(3,4-dimethylcyclohexyl)amino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[(3,4-dimethylcyclohexyl)amino]-3-phenylmethoxypropan-2-ol
PubChem CID64742870
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name1-[(3,4-dimethylcyclohexyl)amino]-3-phenylmethoxypropan-2-ol
SMILESCC1CCC(NCC(O)COCc2ccccc2)CC1C
InChIInChI=1S/C18H29NO2/c1-14-8-9-17(10-15(14)2)19-11-18(20)13-21-12-16-6-4-3-5-7-16/h3-7,14-15,17-20H,8-13H2,1-2H3
InChIKeyGXEHTVXLOMEMDP-UHFFFAOYSA-N
XLogP2.98
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-methylpyrrolidin-3-yl)amino]-3-phenylmethoxypropan-2-ol
CID 61462412
1-(cyclopropylmethoxy)-3-[(3,4-dimethylcyclohexyl)amino]propan-2-ol
CID 64742863
1-[(1,3-dimethylpiperidin-4-yl)amino]-3-phenylmethoxypropan-2-ol
CID 115716647
1-[(3,4-dimethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 64741127
1-(cyclopropylamino)-3-[(3-methoxyphenyl)methoxy]propan-2-ol
CID 43090645
1-[[(1R)-1-cyclopentylethyl]amino]-3-phenylmethoxypropan-2-ol
CID 81394514
1-(2-cyclopropylpropylamino)-3-phenylmethoxypropan-2-ol
CID 115591857
1-[(2-methylpropan-2-yl)oxyamino]-3-phenylmethoxypropan-2-ol
CID 82723320
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 4851511
1-(cyclopentyloxyamino)-3-phenylmethoxypropan-2-ol
CID 83229084
1-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-phenylmethoxypropan-2-ol
CID 60901722
1-(cyclopropylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 3604770

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylcyclohexyl)amino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[(3,4-dimethylcyclohexyl)amino]-3-phenylmethoxypropan-2-ol (CID 64742870) is 1-[(3,4-dimethylcyclohexyl)amino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[(3,4-dimethylcyclohexyl)amino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[(3,4-dimethylcyclohexyl)amino]-3-phenylmethoxypropan-2-ol is CC1CCC(NCC(O)COCc2ccccc2)CC1C.
What is the InChIKey of 1-[(3,4-dimethylcyclohexyl)amino]-3-phenylmethoxypropan-2-ol?
The InChIKey is GXEHTVXLOMEMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14-8-9-17(10-15(14)2)19-11-18(20)13-21-12-16-6-4-3-5-7-16/h3-7,14-15,17-20H,8-13H2,1-2H3.
What are the key properties of 1-[(3,4-dimethylcyclohexyl)amino]-3-phenylmethoxypropan-2-ol?
1-[(3,4-dimethylcyclohexyl)amino]-3-phenylmethoxypropan-2-ol has a molecular weight of 291.43 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylcyclohexyl)amino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 64742870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).