1-[2-[2-(4-bromophenyl)phenyl]ethyl]cyclopropan-1-amine

C17H18BrN — CID 129216190

IUPAC1-[2-[2-(4-bromophenyl)phenyl]ethyl]cyclopropan-1-amine
SMILESNC1(CCc2ccccc2-c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H18BrN/c18-15-7-5-14(6-8-15)16-4-2-1-3-13(16)9-10-17(19)11-12-17/h1-8H,9-12,19H2
InChIKeyRIFPAACTWDSTHF-UHFFFAOYSA-N
MW316.24 g/mol
LogP4.54
Rot. Bonds4

About 1-[2-[2-(4-bromophenyl)phenyl]ethyl]cyclopropan-1-amine

1-[2-[2-(4-bromophenyl)phenyl]ethyl]cyclopropan-1-amine (PubChem CID 129216190) has the molecular formula C17H18BrN and a molecular weight of 316.24 g/mol. Its IUPAC name is 1-[2-[2-(4-bromophenyl)phenyl]ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-[2-(4-bromophenyl)phenyl]ethyl]cyclopropan-1-amine
PubChem CID129216190
Molecular FormulaC17H18BrN
Molecular Weight316.24 g/mol
Exact Mass315.06
IUPAC Name1-[2-[2-(4-bromophenyl)phenyl]ethyl]cyclopropan-1-amine
SMILESNC1(CCc2ccccc2-c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H18BrN/c18-15-7-5-14(6-8-15)16-4-2-1-3-13(16)9-10-17(19)11-12-17/h1-8H,9-12,19H2
InChIKeyRIFPAACTWDSTHF-UHFFFAOYSA-N
XLogP4.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-bromophenyl)phenyl]ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-[2-(4-bromophenyl)phenyl]ethyl]cyclopropan-1-amine (CID 129216190) is 1-[2-[2-(4-bromophenyl)phenyl]ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-[2-(4-bromophenyl)phenyl]ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-[2-(4-bromophenyl)phenyl]ethyl]cyclopropan-1-amine is NC1(CCc2ccccc2-c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[2-[2-(4-bromophenyl)phenyl]ethyl]cyclopropan-1-amine?
The InChIKey is RIFPAACTWDSTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN/c18-15-7-5-14(6-8-15)16-4-2-1-3-13(16)9-10-17(19)11-12-17/h1-8H,9-12,19H2.
What are the key properties of 1-[2-[2-(4-bromophenyl)phenyl]ethyl]cyclopropan-1-amine?
1-[2-[2-(4-bromophenyl)phenyl]ethyl]cyclopropan-1-amine has a molecular weight of 316.24 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-bromophenyl)phenyl]ethyl]cyclopropan-1-amine is sourced from PubChem (CID 129216190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).