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

C17H19BrClN — CID 81354126

IUPACN-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
SMILESCCC(N[C@@H](C)c1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19BrClN/c1-3-17(14-6-10-16(19)11-7-14)20-12(2)13-4-8-15(18)9-5-13/h4-12,17,20H,3H2,1-2H3/t12-,17?/m0/s1
InChIKeyLHQXQYFJUWNJPG-WHUIICBVSA-N
MW352.70 g/mol
LogP5.90
Rot. Bonds5

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

N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine (PubChem CID 81354126) has the molecular formula C17H19BrClN and a molecular weight of 352.70 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
PubChem CID81354126
Molecular FormulaC17H19BrClN
Molecular Weight352.70 g/mol
Exact Mass351.04
IUPAC NameN-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
SMILESCCC(N[C@@H](C)c1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19BrClN/c1-3-17(14-6-10-16(19)11-7-14)20-12(2)13-4-8-15(18)9-5-13/h4-12,17,20H,3H2,1-2H3/t12-,17?/m0/s1
InChIKeyLHQXQYFJUWNJPG-WHUIICBVSA-N
XLogP5.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.70
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353537
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 81359219
1-(4-bromophenyl)-N-[(1S)-1-phenylethyl]propan-1-amine
CID 81350927
1-(4-bromophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81350988
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 81350091
N-[1-(3-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 43673292
N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 82964918
N-[1-(4-bromophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43720365
1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43106646
N-[1-(5-bromothiophen-2-yl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 63431288
1-(4-bromophenyl)-N-[1-(3-bromophenyl)ethyl]propan-1-amine
CID 43673216

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine (CID 81354126) is N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine is CCC(N[C@@H](C)c1ccc(Br)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine?
The InChIKey is LHQXQYFJUWNJPG-WHUIICBVSA-N. The full InChI is InChI=1S/C17H19BrClN/c1-3-17(14-6-10-16(19)11-7-14)20-12(2)13-4-8-15(18)9-5-13/h4-12,17,20H,3H2,1-2H3/t12-,17?/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine?
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine has a molecular weight of 352.70 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine is sourced from PubChem (CID 81354126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).