N-[1-(3-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine

C17H19BrClN — CID 43673292

IUPACN-[1-(3-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
SMILESCCC(NC(C)c1cccc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19BrClN/c1-3-17(13-7-9-16(19)10-8-13)20-12(2)14-5-4-6-15(18)11-14/h4-12,17,20H,3H2,1-2H3
InChIKeyIRIOYXJHCFPDKU-UHFFFAOYSA-N
MW352.70 g/mol
LogP5.90
Rot. Bonds5

About N-[1-(3-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine

N-[1-(3-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine (PubChem CID 43673292) has the molecular formula C17H19BrClN and a molecular weight of 352.70 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
PubChem CID43673292
Molecular FormulaC17H19BrClN
Molecular Weight352.70 g/mol
Exact Mass351.04
IUPAC NameN-[1-(3-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
SMILESCCC(NC(C)c1cccc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19BrClN/c1-3-17(13-7-9-16(19)10-8-13)20-12(2)14-5-4-6-15(18)11-14/h4-12,17,20H,3H2,1-2H3
InChIKeyIRIOYXJHCFPDKU-UHFFFAOYSA-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-[1-(3-bromophenyl)ethyl]propan-1-amine
CID 43673216
1-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43097661
N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)propan-1-amine
CID 43779041
4-[1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propyl]phenol
CID 81381060
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
1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81363349
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
1-(3-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353113
1-(3-bromophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 81351033
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81366125
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine (CID 43673292) is N-[1-(3-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine is CCC(NC(C)c1cccc(Br)c1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine?
The InChIKey is IRIOYXJHCFPDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClN/c1-3-17(13-7-9-16(19)10-8-13)20-12(2)14-5-4-6-15(18)11-14/h4-12,17,20H,3H2,1-2H3.
What are the key properties of N-[1-(3-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine?
N-[1-(3-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-[1-(3-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine is sourced from PubChem (CID 43673292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).