2-(4-bromophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-1-amine

C16H16BrCl2N — CID 79441806

IUPAC2-(4-bromophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrCl2N/c1-20-10-13(12-3-5-14(17)6-4-12)8-11-2-7-15(18)16(19)9-11/h2-7,9,13,20H,8,10H2,1H3
InChIKeyFISJWDMVFFEBGR-UHFFFAOYSA-N
MW373.12 g/mol
LogP5.30
Rot. Bonds5

About 2-(4-bromophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-1-amine

2-(4-bromophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-1-amine (PubChem CID 79441806) has the molecular formula C16H16BrCl2N and a molecular weight of 373.12 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-1-amine
PubChem CID79441806
Molecular FormulaC16H16BrCl2N
Molecular Weight373.12 g/mol
Exact Mass370.98
IUPAC Name2-(4-bromophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrCl2N/c1-20-10-13(12-3-5-14(17)6-4-12)8-11-2-7-15(18)16(19)9-11/h2-7,9,13,20H,8,10H2,1H3
InChIKeyFISJWDMVFFEBGR-UHFFFAOYSA-N
XLogP5.30
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 ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 79442314
2-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)-N-methylpropan-1-amine
CID 103049778
1-(4-bromophenyl)-3-(3,4-dichlorophenyl)propan-2-amine
CID 63411923
2-(3,4-dichlorophenyl)-N-methylbutan-1-amine
CID 23202154
2-[(3,4-dichlorophenyl)methyl]-N-methylpentan-1-amine
CID 62530111
4-[2-[(4-bromophenyl)methyl]-3-chloropropyl]-1,2-dichlorobenzene
CID 66035939
2-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)-N-methylpropan-1-amine
CID 63522254
3-(3,4-dichlorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 79422312
2-(2-bromophenyl)-3-(3,4-dichlorophenyl)-N-ethylpropan-1-amine
CID 79436750
N-methyl-2,3-bis(4-methylphenyl)propan-1-amine
CID 79437244
(3S)-3-(3,4-dichlorophenyl)-4-(methylamino)butan-1-ol
CID 20794252
3-(3,4-dichlorophenyl)-4-(methylamino)butan-1-ol
CID 10824416

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-(4-bromophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-1-amine (CID 79441806) is 2-(4-bromophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-1-amine is CNCC(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-1-amine?
The InChIKey is FISJWDMVFFEBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrCl2N/c1-20-10-13(12-3-5-14(17)6-4-12)8-11-2-7-15(18)16(19)9-11/h2-7,9,13,20H,8,10H2,1H3.
What are the key properties of 2-(4-bromophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-1-amine?
2-(4-bromophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-1-amine has a molecular weight of 373.12 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 79441806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).