(3-chloro-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine

C16H24ClNO — CID 107177072

IUPAC(3-chloro-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
SMILESCOc1ccc(C(N)C2CCCCC2(C)C)cc1Cl
InChIInChI=1S/C16H24ClNO/c1-16(2)9-5-4-6-12(16)15(18)11-7-8-14(19-3)13(17)10-11/h7-8,10,12,15H,4-6,9,18H2,1-3H3
InChIKeyCWAJXKUDLXQEMY-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.56
Rot. Bonds3

About (3-chloro-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine

(3-chloro-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine (PubChem CID 107177072) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
PubChem CID107177072
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name(3-chloro-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
SMILESCOc1ccc(C(N)C2CCCCC2(C)C)cc1Cl
InChIInChI=1S/C16H24ClNO/c1-16(2)9-5-4-6-12(16)15(18)11-7-8-14(19-3)13(17)10-11/h7-8,10,12,15H,4-6,9,18H2,1-3H3
InChIKeyCWAJXKUDLXQEMY-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107178190
(2,2-dimethylcyclohexyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 107177030
(3-chloro-4-methoxyphenyl)-cycloheptylmethanol
CID 62590019
(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanol
CID 107181861
[(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methyl]hydrazine
CID 107193744
(3-chloro-4-methoxyphenyl)-(oxolan-3-yl)methanamine
CID 61270663
(2,2-dimethylcyclohexyl)-(4-ethoxyphenyl)methanamine
CID 107176964
(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107191370
(2,2-dimethylcyclopentyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 107178150
[1-(aminomethyl)cyclopropyl]-(3-chloro-4-methoxyphenyl)methanamine
CID 116943351
4-(1-bromo-2-cyclopentylethyl)-2-chloro-1-methoxybenzene
CID 63439505
N-[(4-chloro-3-methoxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107189816

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine?
The IUPAC name of (3-chloro-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine (CID 107177072) is (3-chloro-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine is COc1ccc(C(N)C2CCCCC2(C)C)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine?
The InChIKey is CWAJXKUDLXQEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-16(2)9-5-4-6-12(16)15(18)11-7-8-14(19-3)13(17)10-11/h7-8,10,12,15H,4-6,9,18H2,1-3H3.
What are the key properties of (3-chloro-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine?
(3-chloro-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine has a molecular weight of 281.83 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine is sourced from PubChem (CID 107177072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).