2-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]propan-2-amine

C17H19BrClN — CID 43740758

IUPAC2-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]propan-2-amine
SMILESCC(NC(C)(C)c1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19BrClN/c1-12(13-4-10-16(19)11-5-13)20-17(2,3)14-6-8-15(18)9-7-14/h4-12,20H,1-3H3
InChIKeyDLALMPHWBDKIDT-UHFFFAOYSA-N
MW352.70 g/mol
LogP5.69
Rot. Bonds4

About 2-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]propan-2-amine

2-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]propan-2-amine (PubChem CID 43740758) has the molecular formula C17H19BrClN and a molecular weight of 352.70 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]propan-2-amine
PubChem CID43740758
Molecular FormulaC17H19BrClN
Molecular Weight352.70 g/mol
Exact Mass351.04
IUPAC Name2-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]propan-2-amine
SMILESCC(NC(C)(C)c1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19BrClN/c1-12(13-4-10-16(19)11-5-13)20-17(2,3)14-6-8-15(18)9-7-14/h4-12,20H,1-3H3
InChIKeyDLALMPHWBDKIDT-UHFFFAOYSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.70
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-2-amine
CID 43740769
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 81359219
2-(4-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine
CID 43740782
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
1-(4-bromophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353537
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 81354126
2-(4-bromophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]propan-2-amine
CID 43740817
1-bromo-4-[(S)-chloro-(4-chlorophenyl)methyl]benzene
CID 94201521
(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910
(1R)-1-(4-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81357139
1-tert-butyl-4-[chloro-(4-chlorophenyl)methyl]benzene
CID 63429016
N-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43712840

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]propan-2-amine?
The IUPAC name of 2-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]propan-2-amine (CID 43740758) is 2-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]propan-2-amine.
What is the SMILES notation for 2-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]propan-2-amine?
The canonical SMILES for 2-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]propan-2-amine is CC(NC(C)(C)c1ccc(Br)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]propan-2-amine?
The InChIKey is DLALMPHWBDKIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClN/c1-12(13-4-10-16(19)11-5-13)20-17(2,3)14-6-8-15(18)9-7-14/h4-12,20H,1-3H3.
What are the key properties of 2-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]propan-2-amine?
2-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]propan-2-amine has a molecular weight of 352.70 g/mol, XLogP of 5.69, 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-[1-(4-chlorophenyl)ethyl]propan-2-amine is sourced from PubChem (CID 43740758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).