(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine

C16H24ClNO — CID 107178190

IUPAC(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
SMILESCOc1ccc(Cl)cc1C(N)C1CCCCC1(C)C
InChIInChI=1S/C16H24ClNO/c1-16(2)9-5-4-6-13(16)15(18)12-10-11(17)7-8-14(12)19-3/h7-8,10,13,15H,4-6,9,18H2,1-3H3
InChIKeyFHAATHQMABXFTM-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.56
Rot. Bonds3

About (5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine

(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine (PubChem CID 107178190) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
PubChem CID107178190
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
SMILESCOc1ccc(Cl)cc1C(N)C1CCCCC1(C)C
InChIInChI=1S/C16H24ClNO/c1-16(2)9-5-4-6-13(16)15(18)12-10-11(17)7-8-14(12)19-3/h7-8,10,13,15H,4-6,9,18H2,1-3H3
InChIKeyFHAATHQMABXFTM-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)methanol
CID 107181861
[(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methyl]hydrazine
CID 107193744
(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107001396
(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine
CID 65399712
(3-chloro-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107177072
(5-chloro-2-methoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105140994
(5-chloro-2-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016736
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,2-dimethylcyclopentyl)methanamine
CID 107178296
2-(5-chloro-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine
CID 107188374
(S)-(5-chloro-2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 171244638
(2-bromo-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107177622
[2-(5-chloro-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)ethyl]hydrazine
CID 107193657

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine (CID 107178190) is (5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine is COc1ccc(Cl)cc1C(N)C1CCCCC1(C)C.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine?
The InChIKey is FHAATHQMABXFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-16(2)9-5-4-6-13(16)15(18)12-10-11(17)7-8-14(12)19-3/h7-8,10,13,15H,4-6,9,18H2,1-3H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine?
(5-chloro-2-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 (5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine is sourced from PubChem (CID 107178190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).