[1-(3-bromophenyl)cyclopropyl]methanamine

C10H12BrN — CID 43345650

IUPAC[1-(3-bromophenyl)cyclopropyl]methanamine
SMILESNCC1(c2cccc(Br)c2)CC1
InChIInChI=1S/C10H12BrN/c11-9-3-1-2-8(6-9)10(7-12)4-5-10/h1-3,6H,4-5,7,12H2
InChIKeyZVBYCRYOXQHUBS-UHFFFAOYSA-N
MW226.12 g/mol
LogP2.44
Rot. Bonds2

About [1-(3-bromophenyl)cyclopropyl]methanamine

[1-(3-bromophenyl)cyclopropyl]methanamine (PubChem CID 43345650) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is [1-(3-bromophenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3-bromophenyl)cyclopropyl]methanamine
PubChem CID43345650
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name[1-(3-bromophenyl)cyclopropyl]methanamine
SMILESNCC1(c2cccc(Br)c2)CC1
InChIInChI=1S/C10H12BrN/c11-9-3-1-2-8(6-9)10(7-12)4-5-10/h1-3,6H,4-5,7,12H2
InChIKeyZVBYCRYOXQHUBS-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(3-bromophenyl)cyclopropyl]methanamine (CID 43345650) is [1-(3-bromophenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3-bromophenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(3-bromophenyl)cyclopropyl]methanamine is NCC1(c2cccc(Br)c2)CC1.
What is the InChIKey of [1-(3-bromophenyl)cyclopropyl]methanamine?
The InChIKey is ZVBYCRYOXQHUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN/c11-9-3-1-2-8(6-9)10(7-12)4-5-10/h1-3,6H,4-5,7,12H2.
What are the key properties of [1-(3-bromophenyl)cyclopropyl]methanamine?
[1-(3-bromophenyl)cyclopropyl]methanamine has a molecular weight of 226.12 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenyl)cyclopropyl]methanamine is sourced from PubChem (CID 43345650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).