1-(3-bromo-5-prop-1-en-2-ylphenyl)cyclopentan-1-amine

C14H18BrN — CID 117449594

IUPAC1-(3-bromo-5-prop-1-en-2-ylphenyl)cyclopentan-1-amine
SMILESC=C(C)c1cc(Br)cc(C2(N)CCCC2)c1
InChIInChI=1S/C14H18BrN/c1-10(2)11-7-12(9-13(15)8-11)14(16)5-3-4-6-14/h7-9H,1,3-6,16H2,2H3
InChIKeyFMDARVOLPYPLEC-UHFFFAOYSA-N
MW280.21 g/mol
LogP4.21
Rot. Bonds2

About 1-(3-bromo-5-prop-1-en-2-ylphenyl)cyclopentan-1-amine

1-(3-bromo-5-prop-1-en-2-ylphenyl)cyclopentan-1-amine (PubChem CID 117449594) has the molecular formula C14H18BrN and a molecular weight of 280.21 g/mol. Its IUPAC name is 1-(3-bromo-5-prop-1-en-2-ylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-5-prop-1-en-2-ylphenyl)cyclopentan-1-amine
PubChem CID117449594
Molecular FormulaC14H18BrN
Molecular Weight280.21 g/mol
Exact Mass279.06
IUPAC Name1-(3-bromo-5-prop-1-en-2-ylphenyl)cyclopentan-1-amine
SMILESC=C(C)c1cc(Br)cc(C2(N)CCCC2)c1
InChIInChI=1S/C14H18BrN/c1-10(2)11-7-12(9-13(15)8-11)14(16)5-3-4-6-14/h7-9H,1,3-6,16H2,2H3
InChIKeyFMDARVOLPYPLEC-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-3-(1-isocyanatocyclopentyl)-5-prop-1-en-2-ylbenzene
CID 117491343
1-(5-bromo-3-pyridinyl)cyclopentan-1-amine
CID 131597896
1-bromo-3-tert-butyl-5-prop-1-en-2-ylbenzene
CID 86719126
5-(1-aminocyclohexyl)-2-bromo-3-methylphenol
CID 84813036
4-(1-aminocyclopentyl)-2,6-dimethylaniline
CID 84778060
1-(3-bromo-4-fluoro-5-methylphenyl)cyclohexan-1-amine
CID 117461277
1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine
CID 84789567
O-[2-(3-bromo-5-prop-1-en-2-ylphenyl)ethyl]hydroxylamine
CID 117393277
1-(3-bromo-4,5-dimethoxyphenyl)cyclopentan-1-amine
CID 117483760
5-(1-aminocyclohexyl)-3-methylbenzene-1,2-diol
CID 117316475
1-(5-bromo-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117453302
1-(3-bromo-5-methylphenyl)cyclopentan-1-ol
CID 163230979

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-prop-1-en-2-ylphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(3-bromo-5-prop-1-en-2-ylphenyl)cyclopentan-1-amine (CID 117449594) is 1-(3-bromo-5-prop-1-en-2-ylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(3-bromo-5-prop-1-en-2-ylphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(3-bromo-5-prop-1-en-2-ylphenyl)cyclopentan-1-amine is C=C(C)c1cc(Br)cc(C2(N)CCCC2)c1.
What is the InChIKey of 1-(3-bromo-5-prop-1-en-2-ylphenyl)cyclopentan-1-amine?
The InChIKey is FMDARVOLPYPLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN/c1-10(2)11-7-12(9-13(15)8-11)14(16)5-3-4-6-14/h7-9H,1,3-6,16H2,2H3.
What are the key properties of 1-(3-bromo-5-prop-1-en-2-ylphenyl)cyclopentan-1-amine?
1-(3-bromo-5-prop-1-en-2-ylphenyl)cyclopentan-1-amine has a molecular weight of 280.21 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-prop-1-en-2-ylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 117449594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).