(2-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine

C16H24ClNO — CID 116769102

IUPAC(2-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
SMILESCOC1(C(N)c2ccccc2Cl)CCC(C)(C)CC1
InChIInChI=1S/C16H24ClNO/c1-15(2)8-10-16(19-3,11-9-15)14(18)12-6-4-5-7-13(12)17/h4-7,14H,8-11,18H2,1-3H3
InChIKeyWORFKICKTURISA-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.33
Rot. Bonds3

About (2-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine

(2-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine (PubChem CID 116769102) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is (2-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
PubChem CID116769102
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name(2-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
SMILESCOC1(C(N)c2ccccc2Cl)CCC(C)(C)CC1
InChIInChI=1S/C16H24ClNO/c1-15(2)8-10-16(19-3,11-9-15)14(18)12-6-4-5-7-13(12)17/h4-7,14H,8-11,18H2,1-3H3
InChIKeyWORFKICKTURISA-UHFFFAOYSA-N
XLogP4.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dichlorophenyl)-(1-methoxycycloheptyl)methanamine
CID 116769975
(4-bromo-3-chloro-2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
CID 106763038
(2-chlorophenyl)-(1-methoxycyclopentyl)methanol
CID 104610373
[(2-chlorophenyl)-(1-methoxy-4-methylcyclohexyl)methyl]hydrazine
CID 105276997
2-(2-chlorophenyl)-1-(1-methoxycycloheptyl)ethanamine
CID 116769828
1-(1-methoxy-4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine
CID 116768960
(4-chloro-1-propylpyrazol-5-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
CID 114662026
2-(5-chlorothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116769036
2-(2,3-dichlorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 107309128
3-[amino-(1-methoxy-4,4-dimethylcyclohexyl)methyl]-4-methylpyridin-2-amine
CID 116768939
(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755628
1-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116767849

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine?
The IUPAC name of (2-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine (CID 116769102) is (2-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine.
What is the SMILES notation for (2-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine?
The canonical SMILES for (2-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine is COC1(C(N)c2ccccc2Cl)CCC(C)(C)CC1.
What is the InChIKey of (2-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine?
The InChIKey is WORFKICKTURISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-15(2)8-10-16(19-3,11-9-15)14(18)12-6-4-5-7-13(12)17/h4-7,14H,8-11,18H2,1-3H3.
What are the key properties of (2-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine?
(2-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine has a molecular weight of 281.83 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine is sourced from PubChem (CID 116769102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).