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

C10H13BrClN — CID 119031956

IUPAC1-[(2-bromophenyl)methyl]cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(Cc2ccccc2Br)CC1
InChIInChI=1S/C10H12BrN.ClH/c11-9-4-2-1-3-8(9)7-10(12)5-6-10;/h1-4H,5-7,12H2;1H
InChIKeyJTBCZUFGFUMMLY-UHFFFAOYSA-N
MW262.58 g/mol
LogP2.90
Rot. Bonds2

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

1-[(2-bromophenyl)methyl]cyclopropan-1-amine;hydrochloride (PubChem CID 119031956) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]cyclopropan-1-amine;hydrochloride
PubChem CID119031956
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name1-[(2-bromophenyl)methyl]cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(Cc2ccccc2Br)CC1
InChIInChI=1S/C10H12BrN.ClH/c11-9-4-2-1-3-8(9)7-10(12)5-6-10;/h1-4H,5-7,12H2;1H
InChIKeyJTBCZUFGFUMMLY-UHFFFAOYSA-N
XLogP2.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.58
LogP ≤ 52.90
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;hydrochloride?
The IUPAC name of 1-[(2-bromophenyl)methyl]cyclopropan-1-amine;hydrochloride (CID 119031956) is 1-[(2-bromophenyl)methyl]cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]cyclopropan-1-amine;hydrochloride?
The canonical SMILES for 1-[(2-bromophenyl)methyl]cyclopropan-1-amine;hydrochloride is Cl.NC1(Cc2ccccc2Br)CC1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]cyclopropan-1-amine;hydrochloride?
The InChIKey is JTBCZUFGFUMMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN.ClH/c11-9-4-2-1-3-8(9)7-10(12)5-6-10;/h1-4H,5-7,12H2;1H.
What are the key properties of 1-[(2-bromophenyl)methyl]cyclopropan-1-amine;hydrochloride?
1-[(2-bromophenyl)methyl]cyclopropan-1-amine;hydrochloride has a molecular weight of 262.58 g/mol, XLogP of 2.90, 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;hydrochloride is sourced from PubChem (CID 119031956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).