[1-(dimethylamino)-3-methylcyclohexyl]-(3-methylphenyl)methanol

C17H27NO — CID 79074534

IUPAC[1-(dimethylamino)-3-methylcyclohexyl]-(3-methylphenyl)methanol
SMILESCc1cccc(C(O)C2(N(C)C)CCCC(C)C2)c1
InChIInChI=1S/C17H27NO/c1-13-7-5-9-15(11-13)16(19)17(18(3)4)10-6-8-14(2)12-17/h5,7,9,11,14,16,19H,6,8,10,12H2,1-4H3
InChIKeyCIWOHTJLJCCPJJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.54
Rot. Bonds3

About [1-(dimethylamino)-3-methylcyclohexyl]-(3-methylphenyl)methanol

[1-(dimethylamino)-3-methylcyclohexyl]-(3-methylphenyl)methanol (PubChem CID 79074534) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [1-(dimethylamino)-3-methylcyclohexyl]-(3-methylphenyl)methanol.

Molecular Properties

Compound Name[1-(dimethylamino)-3-methylcyclohexyl]-(3-methylphenyl)methanol
PubChem CID79074534
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[1-(dimethylamino)-3-methylcyclohexyl]-(3-methylphenyl)methanol
SMILESCc1cccc(C(O)C2(N(C)C)CCCC(C)C2)c1
InChIInChI=1S/C17H27NO/c1-13-7-5-9-15(11-13)16(19)17(18(3)4)10-6-8-14(2)12-17/h5,7,9,11,14,16,19H,6,8,10,12H2,1-4H3
InChIKeyCIWOHTJLJCCPJJ-UHFFFAOYSA-N
XLogP3.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)-3-methylcyclohexyl]-(3-methylphenyl)methanol
CID 79138054
(3,5-difluorophenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol
CID 79075052
(4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol
CID 79697137
[1-(dimethylamino)-3-methylcyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106881112
2-(2-bromophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol
CID 79074463
1-[amino-(2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074317
[1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanol
CID 79075127
cyclohexyl-[1-(dimethylamino)-3-methylcyclohexyl]methanol
CID 79074385
1-amino-N,3-dimethyl-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 64551887
1-[1-amino-2-(3-fluorophenyl)ethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074692
1-[hydrazinyl-(3-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 105243818
(3-methylphenyl)-(1-phenylcyclopentyl)methanol
CID 63414399

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-3-methylcyclohexyl]-(3-methylphenyl)methanol?
The IUPAC name of [1-(dimethylamino)-3-methylcyclohexyl]-(3-methylphenyl)methanol (CID 79074534) is [1-(dimethylamino)-3-methylcyclohexyl]-(3-methylphenyl)methanol.
What is the SMILES notation for [1-(dimethylamino)-3-methylcyclohexyl]-(3-methylphenyl)methanol?
The canonical SMILES for [1-(dimethylamino)-3-methylcyclohexyl]-(3-methylphenyl)methanol is Cc1cccc(C(O)C2(N(C)C)CCCC(C)C2)c1.
What is the InChIKey of [1-(dimethylamino)-3-methylcyclohexyl]-(3-methylphenyl)methanol?
The InChIKey is CIWOHTJLJCCPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-7-5-9-15(11-13)16(19)17(18(3)4)10-6-8-14(2)12-17/h5,7,9,11,14,16,19H,6,8,10,12H2,1-4H3.
What are the key properties of [1-(dimethylamino)-3-methylcyclohexyl]-(3-methylphenyl)methanol?
[1-(dimethylamino)-3-methylcyclohexyl]-(3-methylphenyl)methanol has a molecular weight of 261.41 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-3-methylcyclohexyl]-(3-methylphenyl)methanol is sourced from PubChem (CID 79074534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).