(1-aminocyclohexyl)-(5-chloro-2-methoxyphenyl)methanone

C14H18ClNO2 — CID 116550581

IUPAC(1-aminocyclohexyl)-(5-chloro-2-methoxyphenyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)C1(N)CCCCC1
InChIInChI=1S/C14H18ClNO2/c1-18-12-6-5-10(15)9-11(12)13(17)14(16)7-3-2-4-8-14/h5-6,9H,2-4,7-8,16H2,1H3
InChIKeyXNKLZQZCTUGNRN-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.19
Rot. Bonds3

About (1-aminocyclohexyl)-(5-chloro-2-methoxyphenyl)methanone

(1-aminocyclohexyl)-(5-chloro-2-methoxyphenyl)methanone (PubChem CID 116550581) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is (1-aminocyclohexyl)-(5-chloro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(1-aminocyclohexyl)-(5-chloro-2-methoxyphenyl)methanone
PubChem CID116550581
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name(1-aminocyclohexyl)-(5-chloro-2-methoxyphenyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)C1(N)CCCCC1
InChIInChI=1S/C14H18ClNO2/c1-18-12-6-5-10(15)9-11(12)13(17)14(16)7-3-2-4-8-14/h5-6,9H,2-4,7-8,16H2,1H3
InChIKeyXNKLZQZCTUGNRN-UHFFFAOYSA-N
XLogP3.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclohexyl)-(2,5-dichlorophenyl)methanone
CID 116550512
(5-chloro-2-methoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanone
CID 79066338
[1-(aminomethyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone
CID 116601328
2-(1-aminocyclobutyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 116591329
(5-chloro-2-methoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone
CID 116921922
(1-aminocyclopropyl)-(5-bromo-2-methoxyphenyl)methanone
CID 116924286
[1-(4-aminophenyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone
CID 116611778
(1-aminocyclopropyl)-(5-tert-butyl-2-methoxyphenyl)methanone
CID 116924278
(1-aminocyclopropyl)-(2,3-dichloro-4-methoxyphenyl)methanone
CID 116924357
(5-chloro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanone
CID 116921342
(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
5-chloro-2-methoxybenzoate
CID 6933314

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-(5-chloro-2-methoxyphenyl)methanone?
The IUPAC name of (1-aminocyclohexyl)-(5-chloro-2-methoxyphenyl)methanone (CID 116550581) is (1-aminocyclohexyl)-(5-chloro-2-methoxyphenyl)methanone.
What is the SMILES notation for (1-aminocyclohexyl)-(5-chloro-2-methoxyphenyl)methanone?
The canonical SMILES for (1-aminocyclohexyl)-(5-chloro-2-methoxyphenyl)methanone is COc1ccc(Cl)cc1C(=O)C1(N)CCCCC1.
What is the InChIKey of (1-aminocyclohexyl)-(5-chloro-2-methoxyphenyl)methanone?
The InChIKey is XNKLZQZCTUGNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-18-12-6-5-10(15)9-11(12)13(17)14(16)7-3-2-4-8-14/h5-6,9H,2-4,7-8,16H2,1H3.
What are the key properties of (1-aminocyclohexyl)-(5-chloro-2-methoxyphenyl)methanone?
(1-aminocyclohexyl)-(5-chloro-2-methoxyphenyl)methanone has a molecular weight of 267.76 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-(5-chloro-2-methoxyphenyl)methanone is sourced from PubChem (CID 116550581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).