N-[(4-bromo-3-chloro-2-fluorophenyl)methyl]cyclopropanamine;hydrochloride

C10H11BrCl2FN — CID 167530137

IUPACN-[(4-bromo-3-chloro-2-fluorophenyl)methyl]cyclopropanamine;hydrochloride
SMILESCl.Fc1c(CNC2CC2)ccc(Br)c1Cl
InChIInChI=1S/C10H10BrClFN.ClH/c11-8-4-1-6(10(13)9(8)12)5-14-7-2-3-7;/h1,4,7,14H,2-3,5H2;1H
InChIKeyHUSVELKKTYLDCR-UHFFFAOYSA-N
MW315.01 g/mol
LogP3.92
Rot. Bonds3

About N-[(4-bromo-3-chloro-2-fluorophenyl)methyl]cyclopropanamine;hydrochloride

N-[(4-bromo-3-chloro-2-fluorophenyl)methyl]cyclopropanamine;hydrochloride (PubChem CID 167530137) has the molecular formula C10H11BrCl2FN and a molecular weight of 315.01 g/mol. Its IUPAC name is N-[(4-bromo-3-chloro-2-fluorophenyl)methyl]cyclopropanamine;hydrochloride.

Molecular Properties

Compound NameN-[(4-bromo-3-chloro-2-fluorophenyl)methyl]cyclopropanamine;hydrochloride
PubChem CID167530137
Molecular FormulaC10H11BrCl2FN
Molecular Weight315.01 g/mol
Exact Mass312.94
IUPAC NameN-[(4-bromo-3-chloro-2-fluorophenyl)methyl]cyclopropanamine;hydrochloride
SMILESCl.Fc1c(CNC2CC2)ccc(Br)c1Cl
InChIInChI=1S/C10H10BrClFN.ClH/c11-8-4-1-6(10(13)9(8)12)5-14-7-2-3-7;/h1,4,7,14H,2-3,5H2;1H
InChIKeyHUSVELKKTYLDCR-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.01
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[(2,3,4-trifluorophenyl)methyl]cyclopropanamine
CID 63969871
N-[(3-bromo-2-fluorophenyl)methyl]cycloheptanamine
CID 114019817
N-[[2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine
CID 106763835
1-(4-bromo-3-chloro-2-fluorophenyl)-4-(ethylamino)cyclohexan-1-ol
CID 106763738
N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
CID 46835187
N-[(2-bromo-5-chlorophenyl)methyl]cyclopentanamine
CID 66158673
N-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63452721
N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 68941723
N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
CID 79033184
4-[(2-bromo-5-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60810202
N-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]cyclopropanamine
CID 171934626
N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
CID 43163816

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-chloro-2-fluorophenyl)methyl]cyclopropanamine;hydrochloride?
The IUPAC name of N-[(4-bromo-3-chloro-2-fluorophenyl)methyl]cyclopropanamine;hydrochloride (CID 167530137) is N-[(4-bromo-3-chloro-2-fluorophenyl)methyl]cyclopropanamine;hydrochloride.
What is the SMILES notation for N-[(4-bromo-3-chloro-2-fluorophenyl)methyl]cyclopropanamine;hydrochloride?
The canonical SMILES for N-[(4-bromo-3-chloro-2-fluorophenyl)methyl]cyclopropanamine;hydrochloride is Cl.Fc1c(CNC2CC2)ccc(Br)c1Cl.
What is the InChIKey of N-[(4-bromo-3-chloro-2-fluorophenyl)methyl]cyclopropanamine;hydrochloride?
The InChIKey is HUSVELKKTYLDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClFN.ClH/c11-8-4-1-6(10(13)9(8)12)5-14-7-2-3-7;/h1,4,7,14H,2-3,5H2;1H.
What are the key properties of N-[(4-bromo-3-chloro-2-fluorophenyl)methyl]cyclopropanamine;hydrochloride?
N-[(4-bromo-3-chloro-2-fluorophenyl)methyl]cyclopropanamine;hydrochloride has a molecular weight of 315.01 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-chloro-2-fluorophenyl)methyl]cyclopropanamine;hydrochloride is sourced from PubChem (CID 167530137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).