1-(3-bromophenyl)-N-methylcyclopropan-1-amine;hydrochloride

C10H13BrClN — CID 175203393

IUPAC1-(3-bromophenyl)-N-methylcyclopropan-1-amine;hydrochloride
SMILESCNC1(c2cccc(Br)c2)CC1.Cl
InChIInChI=1S/C10H12BrN.ClH/c1-12-10(5-6-10)8-3-2-4-9(11)7-8;/h2-4,7,12H,5-6H2,1H3;1H
InChIKeyJZGASGXABYUISH-UHFFFAOYSA-N
MW262.58 g/mol
LogP3.08
Rot. Bonds2

About 1-(3-bromophenyl)-N-methylcyclopropan-1-amine;hydrochloride

1-(3-bromophenyl)-N-methylcyclopropan-1-amine;hydrochloride (PubChem CID 175203393) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-methylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-methylcyclopropan-1-amine;hydrochloride
PubChem CID175203393
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name1-(3-bromophenyl)-N-methylcyclopropan-1-amine;hydrochloride
SMILESCNC1(c2cccc(Br)c2)CC1.Cl
InChIInChI=1S/C10H12BrN.ClH/c1-12-10(5-6-10)8-3-2-4-9(11)7-8;/h2-4,7,12H,5-6H2,1H3;1H
InChIKeyJZGASGXABYUISH-UHFFFAOYSA-N
XLogP3.08
TPSA12.03 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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-methyl-1-[3-(3-methylphenyl)phenyl]cyclopropan-1-amine
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cyclohexane;N-methyl-1-phenylcyclopropan-1-amine
CID 156796665
1-[3-(2,5-dimethylphenyl)phenyl]-N-methylcyclopropan-1-amine
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CID 11127564
1-[3-(3-methoxyphenyl)phenyl]-N-methylcyclopropan-1-amine
CID 172875841
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CID 155255680
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-methylcyclopropan-1-amine;hydrochloride?
The IUPAC name of 1-(3-bromophenyl)-N-methylcyclopropan-1-amine;hydrochloride (CID 175203393) is 1-(3-bromophenyl)-N-methylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 1-(3-bromophenyl)-N-methylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for 1-(3-bromophenyl)-N-methylcyclopropan-1-amine;hydrochloride is CNC1(c2cccc(Br)c2)CC1.Cl.
What is the InChIKey of 1-(3-bromophenyl)-N-methylcyclopropan-1-amine;hydrochloride?
The InChIKey is JZGASGXABYUISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN.ClH/c1-12-10(5-6-10)8-3-2-4-9(11)7-8;/h2-4,7,12H,5-6H2,1H3;1H.
What are the key properties of 1-(3-bromophenyl)-N-methylcyclopropan-1-amine;hydrochloride?
1-(3-bromophenyl)-N-methylcyclopropan-1-amine;hydrochloride has a molecular weight of 262.58 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-methylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 175203393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).