[3-chloro-4-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol

C15H22ClNO — CID 81151401

IUPAC[3-chloro-4-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol
SMILESCC1CCCC(N(C)c2ccc(CO)cc2Cl)C1
InChIInChI=1S/C15H22ClNO/c1-11-4-3-5-13(8-11)17(2)15-7-6-12(10-18)9-14(15)16/h6-7,9,11,13,18H,3-5,8,10H2,1-2H3
InChIKeySVTAHLOYUGRMMB-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.85
Rot. Bonds3

About [3-chloro-4-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol

[3-chloro-4-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol (PubChem CID 81151401) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is [3-chloro-4-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-4-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol
PubChem CID81151401
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name[3-chloro-4-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol
SMILESCC1CCCC(N(C)c2ccc(CO)cc2Cl)C1
InChIInChI=1S/C15H22ClNO/c1-11-4-3-5-13(8-11)17(2)15-7-6-12(10-18)9-14(15)16/h6-7,9,11,13,18H,3-5,8,10H2,1-2H3
InChIKeySVTAHLOYUGRMMB-UHFFFAOYSA-N
XLogP3.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol?
The IUPAC name of [3-chloro-4-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol (CID 81151401) is [3-chloro-4-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol.
What is the SMILES notation for [3-chloro-4-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol?
The canonical SMILES for [3-chloro-4-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol is CC1CCCC(N(C)c2ccc(CO)cc2Cl)C1.
What is the InChIKey of [3-chloro-4-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol?
The InChIKey is SVTAHLOYUGRMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-11-4-3-5-13(8-11)17(2)15-7-6-12(10-18)9-14(15)16/h6-7,9,11,13,18H,3-5,8,10H2,1-2H3.
What are the key properties of [3-chloro-4-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol?
[3-chloro-4-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol has a molecular weight of 267.80 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol is sourced from PubChem (CID 81151401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).