4-[[2-methyl-2-(3-methylphenyl)propyl]amino]cyclohexan-1-ol

C17H27NO — CID 115149642

IUPAC4-[[2-methyl-2-(3-methylphenyl)propyl]amino]cyclohexan-1-ol
SMILESCc1cccc(C(C)(C)CNC2CCC(O)CC2)c1
InChIInChI=1S/C17H27NO/c1-13-5-4-6-14(11-13)17(2,3)12-18-15-7-9-16(19)10-8-15/h4-6,11,15-16,18-19H,7-10,12H2,1-3H3
InChIKeyAPOAGPCCZDUBAT-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.17
Rot. Bonds4

About 4-[[2-methyl-2-(3-methylphenyl)propyl]amino]cyclohexan-1-ol

4-[[2-methyl-2-(3-methylphenyl)propyl]amino]cyclohexan-1-ol (PubChem CID 115149642) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[[2-methyl-2-(3-methylphenyl)propyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-methyl-2-(3-methylphenyl)propyl]amino]cyclohexan-1-ol
PubChem CID115149642
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-[[2-methyl-2-(3-methylphenyl)propyl]amino]cyclohexan-1-ol
SMILESCc1cccc(C(C)(C)CNC2CCC(O)CC2)c1
InChIInChI=1S/C17H27NO/c1-13-5-4-6-14(11-13)17(2,3)12-18-15-7-9-16(19)10-8-15/h4-6,11,15-16,18-19H,7-10,12H2,1-3H3
InChIKeyAPOAGPCCZDUBAT-UHFFFAOYSA-N
XLogP3.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Levomethadyl
CID 3041256
6-[Methyl(prop-2-enyl)amino]-4,4-diphenylheptan-3-ol
CID 44382932
4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol
CID 122649220
(2R,3S)-1-(2,2-dimethylpropylamino)-3-(2,2-diphenylethylamino)-4-phenylbutan-2-ol
CID 164622120
6-Dimethylamino-4,4-diphenyl-3-heptanol hydrochloride
CID 31673
6-Dimethylamino-4,4-diphenyl-5-methyl-3-hexanol hydrochloride
CID 44675
Drobuline
CID 60890
(E,2R,3R,8S,10S)-8,10-dimethyl-2-(methylamino)-1-phenyldodec-6-en-3-ol
CID 51351565

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methyl-2-(3-methylphenyl)propyl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-methyl-2-(3-methylphenyl)propyl]amino]cyclohexan-1-ol (CID 115149642) is 4-[[2-methyl-2-(3-methylphenyl)propyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-methyl-2-(3-methylphenyl)propyl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-methyl-2-(3-methylphenyl)propyl]amino]cyclohexan-1-ol is Cc1cccc(C(C)(C)CNC2CCC(O)CC2)c1.
What is the InChIKey of 4-[[2-methyl-2-(3-methylphenyl)propyl]amino]cyclohexan-1-ol?
The InChIKey is APOAGPCCZDUBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-5-4-6-14(11-13)17(2,3)12-18-15-7-9-16(19)10-8-15/h4-6,11,15-16,18-19H,7-10,12H2,1-3H3.
What are the key properties of 4-[[2-methyl-2-(3-methylphenyl)propyl]amino]cyclohexan-1-ol?
4-[[2-methyl-2-(3-methylphenyl)propyl]amino]cyclohexan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methyl-2-(3-methylphenyl)propyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 115149642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).