(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine

C15H22ClNO — CID 65399712

IUPAC(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine
SMILESCOc1ccc(Cl)cc1C(N)C1CCCCCC1
InChIInChI=1S/C15H22ClNO/c1-18-14-9-8-12(16)10-13(14)15(17)11-6-4-2-3-5-7-11/h8-11,15H,2-7,17H2,1H3
InChIKeyQUGWDULJRWLSJJ-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.32
Rot. Bonds3

About (5-chloro-2-methoxyphenyl)-cycloheptylmethanamine

(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine (PubChem CID 65399712) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-cycloheptylmethanamine.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine
PubChem CID65399712
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine
SMILESCOc1ccc(Cl)cc1C(N)C1CCCCCC1
InChIInChI=1S/C15H22ClNO/c1-18-14-9-8-12(16)10-13(14)15(17)11-6-4-2-3-5-7-11/h8-11,15H,2-7,17H2,1H3
InChIKeyQUGWDULJRWLSJJ-UHFFFAOYSA-N
XLogP4.32
TPSA35.25 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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(5-chloro-2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 171244638
(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethanol;hydrochloride
CID 171265627
(5-chloro-2-methoxyphenyl)-cyclooctylmethanol
CID 80603904
(R)-cyclohexyl-(2,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171200242
3-[amino-(5-chloro-2-methoxyphenyl)methyl]cyclobutan-1-amine
CID 116937310
(R)-cyclohexyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 93023442
2-[bromo(cyclopentyl)methyl]-4-chloro-1-methoxybenzene
CID 104546446
(5-chloro-2-methoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105140994
(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107178190
(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclohexylmethanamine
CID 171202015
2-(5-chloro-2-methoxyphenyl)-2-cyclopentylacetonitrile
CID 79019427
[1-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-2-methoxyethyl]hydrazine
CID 105278765

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-cycloheptylmethanamine?
The IUPAC name of (5-chloro-2-methoxyphenyl)-cycloheptylmethanamine (CID 65399712) is (5-chloro-2-methoxyphenyl)-cycloheptylmethanamine.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-cycloheptylmethanamine?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-cycloheptylmethanamine is COc1ccc(Cl)cc1C(N)C1CCCCCC1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-cycloheptylmethanamine?
The InChIKey is QUGWDULJRWLSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-18-14-9-8-12(16)10-13(14)15(17)11-6-4-2-3-5-7-11/h8-11,15H,2-7,17H2,1H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-cycloheptylmethanamine?
(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine has a molecular weight of 267.80 g/mol, XLogP of 4.32, 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)-cycloheptylmethanamine is sourced from PubChem (CID 65399712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).