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

4-[[2-(3-bromophenyl)-2-methylpropyl]amino]cyclohexan-1-ol
CID 115149645
3-[[[2-methyl-2-(3-methylphenyl)propyl]amino]methyl]cyclobutan-1-amine
CID 115214425
N-tert-butyl-2-methyl-2-(3-methylphenyl)propan-1-amine
CID 62595182
4-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]cyclohexan-1-ol
CID 115149649
N-cyclopropyl-N',2,2-trimethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 62259045
N-[2-methyl-2-(3-methylphenyl)propyl]carbamoyl bromide
CID 115194297
N-[2-methyl-2-(2-methylphenyl)propyl]cyclopropanamine
CID 62595487
4-hydroxy-N-[2-methyl-2-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119756992
4-methyl-1-N-[2-methyl-2-(3-methylphenyl)propyl]benzene-1,2-diamine
CID 115125181
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine
CID 62595328
2-(cyclohexylamino)-2-(3-methylphenyl)propan-1-ol
CID 61310488
N-[2-cyclopropyl-2-methyl-3-(3-methylphenyl)propyl]cyclopropanamine
CID 83160248

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).