1-[(2-bromophenyl)methyl]cyclopropan-1-amine

C10H12BrN — CID 62830880

IUPAC1-[(2-bromophenyl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2ccccc2Br)CC1
InChIInChI=1S/C10H12BrN/c11-9-4-2-1-3-8(9)7-10(12)5-6-10/h1-4H,5-7,12H2
InChIKeyIXDNPBBWQOAMHU-UHFFFAOYSA-N
MW226.12 g/mol
LogP2.48
Rot. Bonds2

About 1-[(2-bromophenyl)methyl]cyclopropan-1-amine

1-[(2-bromophenyl)methyl]cyclopropan-1-amine (PubChem CID 62830880) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]cyclopropan-1-amine
PubChem CID62830880
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name1-[(2-bromophenyl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2ccccc2Br)CC1
InChIInChI=1S/C10H12BrN/c11-9-4-2-1-3-8(9)7-10(12)5-6-10/h1-4H,5-7,12H2
InChIKeyIXDNPBBWQOAMHU-UHFFFAOYSA-N
XLogP2.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(2-bromophenyl)methyl]cyclopropan-1-amine (CID 62830880) is 1-[(2-bromophenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]cyclopropan-1-amine is NC1(Cc2ccccc2Br)CC1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]cyclopropan-1-amine?
The InChIKey is IXDNPBBWQOAMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN/c11-9-4-2-1-3-8(9)7-10(12)5-6-10/h1-4H,5-7,12H2.
What are the key properties of 1-[(2-bromophenyl)methyl]cyclopropan-1-amine?
1-[(2-bromophenyl)methyl]cyclopropan-1-amine has a molecular weight of 226.12 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 62830880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).