1-(3-bromo-5-ethoxy-4-methoxyphenyl)cyclopentan-1-amine

C14H20BrNO2 — CID 117499479

IUPAC1-(3-bromo-5-ethoxy-4-methoxyphenyl)cyclopentan-1-amine
SMILESCCOc1cc(C2(N)CCCC2)cc(Br)c1OC
InChIInChI=1S/C14H20BrNO2/c1-3-18-12-9-10(8-11(15)13(12)17-2)14(16)6-4-5-7-14/h8-9H,3-7,16H2,1-2H3
InChIKeyAZTBHKURZHRPMS-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.58
Rot. Bonds4

About 1-(3-bromo-5-ethoxy-4-methoxyphenyl)cyclopentan-1-amine

1-(3-bromo-5-ethoxy-4-methoxyphenyl)cyclopentan-1-amine (PubChem CID 117499479) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-(3-bromo-5-ethoxy-4-methoxyphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-5-ethoxy-4-methoxyphenyl)cyclopentan-1-amine
PubChem CID117499479
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name1-(3-bromo-5-ethoxy-4-methoxyphenyl)cyclopentan-1-amine
SMILESCCOc1cc(C2(N)CCCC2)cc(Br)c1OC
InChIInChI=1S/C14H20BrNO2/c1-3-18-12-9-10(8-11(15)13(12)17-2)14(16)6-4-5-7-14/h8-9H,3-7,16H2,1-2H3
InChIKeyAZTBHKURZHRPMS-UHFFFAOYSA-N
XLogP3.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromo-5-ethoxy-4-methoxyphenyl)cyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-4,5-dimethoxyphenyl)cyclopentan-1-amine
CID 117483760
1-(3-bromo-4,5-dimethoxyphenyl)cyclohexan-1-amine
CID 117499870
1-(3-bromo-4,5-dimethoxyphenyl)cyclopropan-1-amine
CID 84809517
1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)cyclopropan-1-amine
CID 84815906
1-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]cyclopentan-1-amine
CID 117476556
1-[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]cyclohexan-1-amine
CID 117494486
2-(3-bromo-5-ethoxy-4-methoxyphenyl)propan-2-amine
CID 117465357
1-(3-bromo-5-cyclopentyl-4-methoxyphenyl)cyclopropan-1-amine
CID 117495098
1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine
CID 84799752
1-(3,4-diethoxyphenyl)cyclopropan-1-amine
CID 116989285
5-(1-aminocyclopentyl)-2,3-dimethoxybenzoic acid
CID 117416999
1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclohexan-1-amine
CID 117423312

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-ethoxy-4-methoxyphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(3-bromo-5-ethoxy-4-methoxyphenyl)cyclopentan-1-amine (CID 117499479) is 1-(3-bromo-5-ethoxy-4-methoxyphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(3-bromo-5-ethoxy-4-methoxyphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(3-bromo-5-ethoxy-4-methoxyphenyl)cyclopentan-1-amine is CCOc1cc(C2(N)CCCC2)cc(Br)c1OC.
What is the InChIKey of 1-(3-bromo-5-ethoxy-4-methoxyphenyl)cyclopentan-1-amine?
The InChIKey is AZTBHKURZHRPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-3-18-12-9-10(8-11(15)13(12)17-2)14(16)6-4-5-7-14/h8-9H,3-7,16H2,1-2H3.
What are the key properties of 1-(3-bromo-5-ethoxy-4-methoxyphenyl)cyclopentan-1-amine?
1-(3-bromo-5-ethoxy-4-methoxyphenyl)cyclopentan-1-amine has a molecular weight of 314.22 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-ethoxy-4-methoxyphenyl)cyclopentan-1-amine is sourced from PubChem (CID 117499479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).