1-[3-(4-bromophenyl)propyl]cyclopropan-1-amine

C12H16BrN — CID 83913067

IUPAC1-[3-(4-bromophenyl)propyl]cyclopropan-1-amine
SMILESNC1(CCCc2ccc(Br)cc2)CC1
InChIInChI=1S/C12H16BrN/c13-11-5-3-10(4-6-11)2-1-7-12(14)8-9-12/h3-6H,1-2,7-9,14H2
InChIKeyXCQQVXIOFFWELJ-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.26
Rot. Bonds4

About 1-[3-(4-bromophenyl)propyl]cyclopropan-1-amine

1-[3-(4-bromophenyl)propyl]cyclopropan-1-amine (PubChem CID 83913067) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 1-[3-(4-bromophenyl)propyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-(4-bromophenyl)propyl]cyclopropan-1-amine
PubChem CID83913067
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name1-[3-(4-bromophenyl)propyl]cyclopropan-1-amine
SMILESNC1(CCCc2ccc(Br)cc2)CC1
InChIInChI=1S/C12H16BrN/c13-11-5-3-10(4-6-11)2-1-7-12(14)8-9-12/h3-6H,1-2,7-9,14H2
InChIKeyXCQQVXIOFFWELJ-UHFFFAOYSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromophenyl)propyl]cyclopropan-1-amine?
The IUPAC name of 1-[3-(4-bromophenyl)propyl]cyclopropan-1-amine (CID 83913067) is 1-[3-(4-bromophenyl)propyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[3-(4-bromophenyl)propyl]cyclopropan-1-amine?
The canonical SMILES for 1-[3-(4-bromophenyl)propyl]cyclopropan-1-amine is NC1(CCCc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[3-(4-bromophenyl)propyl]cyclopropan-1-amine?
The InChIKey is XCQQVXIOFFWELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c13-11-5-3-10(4-6-11)2-1-7-12(14)8-9-12/h3-6H,1-2,7-9,14H2.
What are the key properties of 1-[3-(4-bromophenyl)propyl]cyclopropan-1-amine?
1-[3-(4-bromophenyl)propyl]cyclopropan-1-amine has a molecular weight of 254.17 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromophenyl)propyl]cyclopropan-1-amine is sourced from PubChem (CID 83913067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).