N-[(2-bromo-5-chlorophenyl)methyl]-1-(4-chlorophenyl)propan-2-amine

C16H16BrCl2N — CID 66159290

IUPACN-[(2-bromo-5-chlorophenyl)methyl]-1-(4-chlorophenyl)propan-2-amine
SMILESCC(Cc1ccc(Cl)cc1)NCc1cc(Cl)ccc1Br
InChIInChI=1S/C16H16BrCl2N/c1-11(8-12-2-4-14(18)5-3-12)20-10-13-9-15(19)6-7-16(13)17/h2-7,9,11,20H,8,10H2,1H3
InChIKeyRIJWVFUUZIBTSS-UHFFFAOYSA-N
MW373.12 g/mol
LogP5.48
Rot. Bonds5

About N-[(2-bromo-5-chlorophenyl)methyl]-1-(4-chlorophenyl)propan-2-amine

N-[(2-bromo-5-chlorophenyl)methyl]-1-(4-chlorophenyl)propan-2-amine (PubChem CID 66159290) has the molecular formula C16H16BrCl2N and a molecular weight of 373.12 g/mol. Its IUPAC name is N-[(2-bromo-5-chlorophenyl)methyl]-1-(4-chlorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-chlorophenyl)methyl]-1-(4-chlorophenyl)propan-2-amine
PubChem CID66159290
Molecular FormulaC16H16BrCl2N
Molecular Weight373.12 g/mol
Exact Mass370.98
IUPAC NameN-[(2-bromo-5-chlorophenyl)methyl]-1-(4-chlorophenyl)propan-2-amine
SMILESCC(Cc1ccc(Cl)cc1)NCc1cc(Cl)ccc1Br
InChIInChI=1S/C16H16BrCl2N/c1-11(8-12-2-4-14(18)5-3-12)20-10-13-9-15(19)6-7-16(13)17/h2-7,9,11,20H,8,10H2,1H3
InChIKeyRIJWVFUUZIBTSS-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.12
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-2-amine
CID 43677587
1-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine
CID 60789791
4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594
N-[(2-bromo-5-chlorophenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 66159883
1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine
CID 67641931
N-[(3-bromo-4-fluorophenyl)methyl]-1-(4-bromophenyl)propan-2-amine
CID 43695878
N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 81436061
(1R)-N-[(2-bromo-5-chlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403407
(1S)-N-[(2-bromo-5-chlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 81399052
N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpropanamide
CID 60769951
N-[(2,5-dichlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 65316175
N-[(2-bromo-5-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine
CID 66160523

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-1-(4-chlorophenyl)propan-2-amine?
The IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-1-(4-chlorophenyl)propan-2-amine (CID 66159290) is N-[(2-bromo-5-chlorophenyl)methyl]-1-(4-chlorophenyl)propan-2-amine.
What is the SMILES notation for N-[(2-bromo-5-chlorophenyl)methyl]-1-(4-chlorophenyl)propan-2-amine?
The canonical SMILES for N-[(2-bromo-5-chlorophenyl)methyl]-1-(4-chlorophenyl)propan-2-amine is CC(Cc1ccc(Cl)cc1)NCc1cc(Cl)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-chlorophenyl)methyl]-1-(4-chlorophenyl)propan-2-amine?
The InChIKey is RIJWVFUUZIBTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrCl2N/c1-11(8-12-2-4-14(18)5-3-12)20-10-13-9-15(19)6-7-16(13)17/h2-7,9,11,20H,8,10H2,1H3.
What are the key properties of N-[(2-bromo-5-chlorophenyl)methyl]-1-(4-chlorophenyl)propan-2-amine?
N-[(2-bromo-5-chlorophenyl)methyl]-1-(4-chlorophenyl)propan-2-amine has a molecular weight of 373.12 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-chlorophenyl)methyl]-1-(4-chlorophenyl)propan-2-amine is sourced from PubChem (CID 66159290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).