[1-(4-bromo-2-fluorophenyl)cyclopropyl]methanamine;hydrochloride

C10H12BrClFN — CID 75537413

IUPAC[1-(4-bromo-2-fluorophenyl)cyclopropyl]methanamine;hydrochloride
SMILESCl.NCC1(c2ccc(Br)cc2F)CC1
InChIInChI=1S/C10H11BrFN.ClH/c11-7-1-2-8(9(12)5-7)10(6-13)3-4-10;/h1-2,5H,3-4,6,13H2;1H
InChIKeyIDXGOJPHPOBRGP-UHFFFAOYSA-N
MW280.57 g/mol
LogP3.00
Rot. Bonds2

About [1-(4-bromo-2-fluorophenyl)cyclopropyl]methanamine;hydrochloride

[1-(4-bromo-2-fluorophenyl)cyclopropyl]methanamine;hydrochloride (PubChem CID 75537413) has the molecular formula C10H12BrClFN and a molecular weight of 280.57 g/mol. Its IUPAC name is [1-(4-bromo-2-fluorophenyl)cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(4-bromo-2-fluorophenyl)cyclopropyl]methanamine;hydrochloride
PubChem CID75537413
Molecular FormulaC10H12BrClFN
Molecular Weight280.57 g/mol
Exact Mass278.98
IUPAC Name[1-(4-bromo-2-fluorophenyl)cyclopropyl]methanamine;hydrochloride
SMILESCl.NCC1(c2ccc(Br)cc2F)CC1
InChIInChI=1S/C10H11BrFN.ClH/c11-7-1-2-8(9(12)5-7)10(6-13)3-4-10;/h1-2,5H,3-4,6,13H2;1H
InChIKeyIDXGOJPHPOBRGP-UHFFFAOYSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.57
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[5-bromo-2-(difluoromethyl)phenyl]cyclopropyl]methanamine
CID 117441675
1-(4-bromo-2-fluorophenyl)cyclopentan-1-amine
CID 83412154
[1-(2,3,4-trifluorophenyl)cyclopropyl]methanamine
CID 75366182
[1-(2-fluoro-4,5-dimethylphenyl)cyclopropyl]methanamine
CID 84772874
methyl 4-[1-(aminomethyl)cyclopropyl]-3-fluorobenzoate
CID 117319477
[1-(3-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]methanamine
CID 117437550
1-(4-bromo-2-fluorophenyl)cyclopropane-1-carbonitrile
CID 58762329
[1-(2-fluorophenyl)cyclopentyl]methanamine;hydrochloride
CID 74890008
[1-(2-bromo-3,4-difluorophenyl)cyclopentyl]methanamine
CID 117468475
[1-(4-bromo-3,5-difluorophenyl)cyclopropyl]methanamine
CID 84806909
[1-(2-bromo-4,5-difluorophenyl)cyclobutyl]methanamine
CID 117441687
[1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropyl]methanamine
CID 117293731

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2-fluorophenyl)cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [1-(4-bromo-2-fluorophenyl)cyclopropyl]methanamine;hydrochloride (CID 75537413) is [1-(4-bromo-2-fluorophenyl)cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [1-(4-bromo-2-fluorophenyl)cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [1-(4-bromo-2-fluorophenyl)cyclopropyl]methanamine;hydrochloride is Cl.NCC1(c2ccc(Br)cc2F)CC1.
What is the InChIKey of [1-(4-bromo-2-fluorophenyl)cyclopropyl]methanamine;hydrochloride?
The InChIKey is IDXGOJPHPOBRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN.ClH/c11-7-1-2-8(9(12)5-7)10(6-13)3-4-10;/h1-2,5H,3-4,6,13H2;1H.
What are the key properties of [1-(4-bromo-2-fluorophenyl)cyclopropyl]methanamine;hydrochloride?
[1-(4-bromo-2-fluorophenyl)cyclopropyl]methanamine;hydrochloride has a molecular weight of 280.57 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-2-fluorophenyl)cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 75537413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).