2-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine

C16H16BrCl2N — CID 60789418

IUPAC2-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine
SMILESCC(C)(NCc1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrCl2N/c1-16(2,12-3-5-13(17)6-4-12)20-10-11-7-14(18)9-15(19)8-11/h3-9,20H,10H2,1-2H3
InChIKeyUHPOMCSJPBSRCM-UHFFFAOYSA-N
MW373.12 g/mol
LogP5.78
Rot. Bonds4

About 2-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine

2-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine (PubChem CID 60789418) has the molecular formula C16H16BrCl2N and a molecular weight of 373.12 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine
PubChem CID60789418
Molecular FormulaC16H16BrCl2N
Molecular Weight373.12 g/mol
Exact Mass370.98
IUPAC Name2-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine
SMILESCC(C)(NCc1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrCl2N/c1-16(2,12-3-5-13(17)6-4-12)20-10-11-7-14(18)9-15(19)8-11/h3-9,20H,10H2,1-2H3
InChIKeyUHPOMCSJPBSRCM-UHFFFAOYSA-N
XLogP5.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.12
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-N-[(4-chloro-3-fluorophenyl)methyl]propan-2-amine
CID 63447083
4-[[2-(4-bromophenyl)propan-2-ylamino]methyl]benzonitrile
CID 43740761
4-[[2-(4-bromophenyl)propan-2-ylamino]methyl]-2-methoxyphenol
CID 43740703
2-(4-bromophenyl)-N-[(4-nitrophenyl)methyl]propan-2-amine
CID 43740669
N-[(3,5-dichlorophenyl)methyl]-2-methylbut-3-yn-2-amine
CID 63996925
2-(4-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)propan-2-amine
CID 62327708
1-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine
CID 60789791
3-[2-(4-bromophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol
CID 81411129
6-[[2-(4-bromophenyl)propan-2-ylamino]methyl]pyridin-3-ol
CID 79784008
2-[5-[[2-(4-bromophenyl)propan-2-ylamino]methyl]thiophen-2-yl]acetic acid
CID 82887139
2-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 54883090
2-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]propan-2-amine
CID 43740758

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine?
The IUPAC name of 2-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine (CID 60789418) is 2-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine?
The canonical SMILES for 2-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine is CC(C)(NCc1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine?
The InChIKey is UHPOMCSJPBSRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrCl2N/c1-16(2,12-3-5-13(17)6-4-12)20-10-11-7-14(18)9-15(19)8-11/h3-9,20H,10H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine?
2-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine has a molecular weight of 373.12 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 60789418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).