1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclopentan-1-amine

C14H20ClNO — CID 117388014

IUPAC1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclopentan-1-amine
SMILESCCc1cc(OC)c(Cl)cc1C1(N)CCCC1
InChIInChI=1S/C14H20ClNO/c1-3-10-8-13(17-2)12(15)9-11(10)14(16)6-4-5-7-14/h8-9H,3-7,16H2,1-2H3
InChIKeyXQGBUEORQAMUDY-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.64
Rot. Bonds3

About 1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclopentan-1-amine

1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclopentan-1-amine (PubChem CID 117388014) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclopentan-1-amine
PubChem CID117388014
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclopentan-1-amine
SMILESCCc1cc(OC)c(Cl)cc1C1(N)CCCC1
InChIInChI=1S/C14H20ClNO/c1-3-10-8-13(17-2)12(15)9-11(10)14(16)6-4-5-7-14/h8-9H,3-7,16H2,1-2H3
InChIKeyXQGBUEORQAMUDY-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84800208
1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117425425
2-(1-aminocyclohexyl)-5-chloro-4-methoxyphenol
CID 117392379
1-chloro-4-ethyl-2,5-dimethoxybenzene
CID 71132798
1-(2,5-dimethoxy-4-propylphenyl)cyclohexan-1-amine
CID 117444888
2-(1-aminocyclobutyl)-3-chloro-4-ethyl-6-methoxyphenol
CID 117392420
1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclohexan-1-amine
CID 117423312
2-(1-aminocyclopropyl)-5-chloro-4-methoxyphenol
CID 84783043
1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine
CID 79700571
1-(2-methoxy-4-methylphenyl)cyclopentan-1-amine
CID 82396221
[1-(5-chloro-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine
CID 117392540
1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117343094

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclopentan-1-amine (CID 117388014) is 1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclopentan-1-amine is CCc1cc(OC)c(Cl)cc1C1(N)CCCC1.
What is the InChIKey of 1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclopentan-1-amine?
The InChIKey is XQGBUEORQAMUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-3-10-8-13(17-2)12(15)9-11(10)14(16)6-4-5-7-14/h8-9H,3-7,16H2,1-2H3.
What are the key properties of 1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclopentan-1-amine?
1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclopentan-1-amine has a molecular weight of 253.77 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclopentan-1-amine is sourced from PubChem (CID 117388014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).