N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-chlorophenyl)methanamine

C14H12BrClFN — CID 78981330

IUPACN-[(4-bromo-3-fluorophenyl)methyl]-1-(3-chlorophenyl)methanamine
SMILESFc1cc(CNCc2cccc(Cl)c2)ccc1Br
InChIInChI=1S/C14H12BrClFN/c15-13-5-4-11(7-14(13)17)9-18-8-10-2-1-3-12(16)6-10/h1-7,18H,8-9H2
InChIKeyYYDXCPHSTKXQPX-UHFFFAOYSA-N
MW328.61 g/mol
LogP4.53
Rot. Bonds4

About N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-chlorophenyl)methanamine

N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-chlorophenyl)methanamine (PubChem CID 78981330) has the molecular formula C14H12BrClFN and a molecular weight of 328.61 g/mol. Its IUPAC name is N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-chlorophenyl)methanamine.

Molecular Properties

Compound NameN-[(4-bromo-3-fluorophenyl)methyl]-1-(3-chlorophenyl)methanamine
PubChem CID78981330
Molecular FormulaC14H12BrClFN
Molecular Weight328.61 g/mol
Exact Mass326.98
IUPAC NameN-[(4-bromo-3-fluorophenyl)methyl]-1-(3-chlorophenyl)methanamine
SMILESFc1cc(CNCc2cccc(Cl)c2)ccc1Br
InChIInChI=1S/C14H12BrClFN/c15-13-5-4-11(7-14(13)17)9-18-8-10-2-1-3-12(16)6-10/h1-7,18H,8-9H2
InChIKeyYYDXCPHSTKXQPX-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.61
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)methanamine
CID 78981347
4-bromo-N-[(3-chlorophenyl)methyl]-3-fluoroaniline
CID 65436509
N-[(4-bromo-3-methylphenyl)methyl]-1-(3-chlorophenyl)methanamine
CID 66472041
N-[(4-bromo-3-fluorophenyl)methyl]-4-chloroaniline
CID 81432792
N-[(4-bromo-3-fluorophenyl)methyl]-3-chloro-2-fluoroaniline
CID 81436139
1-bromo-4-[1-bromo-2-(3-chlorophenyl)ethyl]-2-fluorobenzene
CID 55225424
1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664098
N-[(3-chlorophenyl)methyl]-2-fluoroethanamine
CID 80694369
N-[(4-bromo-3-fluorophenyl)methyl]hexan-1-amine
CID 81436257
N-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 11958390
1-(4-bromo-3-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 78982782
N-[(4-bromo-3-fluorophenyl)methyl]-3-chloro-2-methylaniline
CID 81432615

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-chlorophenyl)methanamine?
The IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-chlorophenyl)methanamine (CID 78981330) is N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-chlorophenyl)methanamine.
What is the SMILES notation for N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-chlorophenyl)methanamine?
The canonical SMILES for N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-chlorophenyl)methanamine is Fc1cc(CNCc2cccc(Cl)c2)ccc1Br.
What is the InChIKey of N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-chlorophenyl)methanamine?
The InChIKey is YYDXCPHSTKXQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN/c15-13-5-4-11(7-14(13)17)9-18-8-10-2-1-3-12(16)6-10/h1-7,18H,8-9H2.
What are the key properties of N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-chlorophenyl)methanamine?
N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-chlorophenyl)methanamine has a molecular weight of 328.61 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-chlorophenyl)methanamine is sourced from PubChem (CID 78981330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).