2-[1-(4-bromophenyl)cyclopropyl]propan-1-amine

C12H16BrN — CID 82381665

IUPAC2-[1-(4-bromophenyl)cyclopropyl]propan-1-amine
SMILESCC(CN)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H16BrN/c1-9(8-14)12(6-7-12)10-2-4-11(13)5-3-10/h2-5,9H,6-8,14H2,1H3
InChIKeyZRLRLNRAJACAIW-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.08
Rot. Bonds3

About 2-[1-(4-bromophenyl)cyclopropyl]propan-1-amine

2-[1-(4-bromophenyl)cyclopropyl]propan-1-amine (PubChem CID 82381665) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)cyclopropyl]propan-1-amine.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)cyclopropyl]propan-1-amine
PubChem CID82381665
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name2-[1-(4-bromophenyl)cyclopropyl]propan-1-amine
SMILESCC(CN)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H16BrN/c1-9(8-14)12(6-7-12)10-2-4-11(13)5-3-10/h2-5,9H,6-8,14H2,1H3
InChIKeyZRLRLNRAJACAIW-UHFFFAOYSA-N
XLogP3.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)cyclopropyl]propan-1-amine?
The IUPAC name of 2-[1-(4-bromophenyl)cyclopropyl]propan-1-amine (CID 82381665) is 2-[1-(4-bromophenyl)cyclopropyl]propan-1-amine.
What is the SMILES notation for 2-[1-(4-bromophenyl)cyclopropyl]propan-1-amine?
The canonical SMILES for 2-[1-(4-bromophenyl)cyclopropyl]propan-1-amine is CC(CN)C1(c2ccc(Br)cc2)CC1.
What is the InChIKey of 2-[1-(4-bromophenyl)cyclopropyl]propan-1-amine?
The InChIKey is ZRLRLNRAJACAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-9(8-14)12(6-7-12)10-2-4-11(13)5-3-10/h2-5,9H,6-8,14H2,1H3.
What are the key properties of 2-[1-(4-bromophenyl)cyclopropyl]propan-1-amine?
2-[1-(4-bromophenyl)cyclopropyl]propan-1-amine has a molecular weight of 254.17 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)cyclopropyl]propan-1-amine is sourced from PubChem (CID 82381665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).