2-chloro-4-[[methyl-(3-methylcyclohexyl)amino]methyl]phenol

C15H22ClNO — CID 82982535

IUPAC2-chloro-4-[[methyl-(3-methylcyclohexyl)amino]methyl]phenol
SMILESCC1CCCC(N(C)Cc2ccc(O)c(Cl)c2)C1
InChIInChI=1S/C15H22ClNO/c1-11-4-3-5-13(8-11)17(2)10-12-6-7-15(18)14(16)9-12/h6-7,9,11,13,18H,3-5,8,10H2,1-2H3
InChIKeyHETOODFKHDGDSO-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.06
Rot. Bonds3

About 2-chloro-4-[[methyl-(3-methylcyclohexyl)amino]methyl]phenol

2-chloro-4-[[methyl-(3-methylcyclohexyl)amino]methyl]phenol (PubChem CID 82982535) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-chloro-4-[[methyl-(3-methylcyclohexyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[[methyl-(3-methylcyclohexyl)amino]methyl]phenol
PubChem CID82982535
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name2-chloro-4-[[methyl-(3-methylcyclohexyl)amino]methyl]phenol
SMILESCC1CCCC(N(C)Cc2ccc(O)c(Cl)c2)C1
InChIInChI=1S/C15H22ClNO/c1-11-4-3-5-13(8-11)17(2)10-12-6-7-15(18)14(16)9-12/h6-7,9,11,13,18H,3-5,8,10H2,1-2H3
InChIKeyHETOODFKHDGDSO-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-N-methylcyclopentanamine
CID 90686398
2-chloro-4-[(dimethylamino)methyl]phenol
CID 4289948
2-chloro-4-[[cyclopentylmethyl(methyl)amino]methyl]phenol
CID 82980683
[3-chloro-4-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol
CID 81151401
2-methoxy-5-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline
CID 61443699
4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridin-2-amine
CID 62471042
4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid
CID 63883397
2-chloro-4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenol
CID 103886816
3-[[methyl-(3-methylcyclohexyl)amino]methyl]benzohydrazide
CID 63584512
N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 62430584
N-[(2-chloro-5-nitrophenyl)methyl]-N,3-dimethylcyclohexan-1-amine
CID 61448511
4-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-chlorophenol
CID 79115137

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[methyl-(3-methylcyclohexyl)amino]methyl]phenol?
The IUPAC name of 2-chloro-4-[[methyl-(3-methylcyclohexyl)amino]methyl]phenol (CID 82982535) is 2-chloro-4-[[methyl-(3-methylcyclohexyl)amino]methyl]phenol.
What is the SMILES notation for 2-chloro-4-[[methyl-(3-methylcyclohexyl)amino]methyl]phenol?
The canonical SMILES for 2-chloro-4-[[methyl-(3-methylcyclohexyl)amino]methyl]phenol is CC1CCCC(N(C)Cc2ccc(O)c(Cl)c2)C1.
What is the InChIKey of 2-chloro-4-[[methyl-(3-methylcyclohexyl)amino]methyl]phenol?
The InChIKey is HETOODFKHDGDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-11-4-3-5-13(8-11)17(2)10-12-6-7-15(18)14(16)9-12/h6-7,9,11,13,18H,3-5,8,10H2,1-2H3.
What are the key properties of 2-chloro-4-[[methyl-(3-methylcyclohexyl)amino]methyl]phenol?
2-chloro-4-[[methyl-(3-methylcyclohexyl)amino]methyl]phenol has a molecular weight of 267.80 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[methyl-(3-methylcyclohexyl)amino]methyl]phenol is sourced from PubChem (CID 82982535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).