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

C17H19Br2N — CID 43673216

IUPAC1-(4-bromophenyl)-N-[1-(3-bromophenyl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1cccc(Br)c1)c1ccc(Br)cc1
InChIInChI=1S/C17H19Br2N/c1-3-17(13-7-9-15(18)10-8-13)20-12(2)14-5-4-6-16(19)11-14/h4-12,17,20H,3H2,1-2H3
InChIKeyIFQDBBZCRZMBIX-UHFFFAOYSA-N
MW397.15 g/mol
LogP6.01
Rot. Bonds5

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

1-(4-bromophenyl)-N-[1-(3-bromophenyl)ethyl]propan-1-amine (PubChem CID 43673216) has the molecular formula C17H19Br2N and a molecular weight of 397.15 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[1-(3-bromophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[1-(3-bromophenyl)ethyl]propan-1-amine
PubChem CID43673216
Molecular FormulaC17H19Br2N
Molecular Weight397.15 g/mol
Exact Mass394.99
IUPAC Name1-(4-bromophenyl)-N-[1-(3-bromophenyl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1cccc(Br)c1)c1ccc(Br)cc1
InChIInChI=1S/C17H19Br2N/c1-3-17(13-7-9-15(18)10-8-13)20-12(2)14-5-4-6-16(19)11-14/h4-12,17,20H,3H2,1-2H3
InChIKeyIFQDBBZCRZMBIX-UHFFFAOYSA-N
XLogP6.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.15
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 43673292
4-[1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propyl]phenol
CID 81381060
3-[1-[1-(4-bromophenyl)propylamino]ethyl]phenol
CID 43692345
1-(4-bromophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81350988
1-(4-bromophenyl)-N-[(1S)-1-phenylethyl]propan-1-amine
CID 81350927
1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81363349
N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)propan-1-amine
CID 43779041
1-(3-bromophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 81351033
N-[1-(3-bromophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 43673198
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114986430
N-[1-(3-bromophenyl)propyl]butan-2-amine
CID 43756359
N-[(1R)-1-(3-bromophenyl)ethyl]-2-methoxy-1-phenylethanamine
CID 103464457

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[1-(3-bromophenyl)ethyl]propan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-N-[1-(3-bromophenyl)ethyl]propan-1-amine (CID 43673216) is 1-(4-bromophenyl)-N-[1-(3-bromophenyl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[1-(3-bromophenyl)ethyl]propan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-[1-(3-bromophenyl)ethyl]propan-1-amine is CCC(NC(C)c1cccc(Br)c1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[1-(3-bromophenyl)ethyl]propan-1-amine?
The InChIKey is IFQDBBZCRZMBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2N/c1-3-17(13-7-9-15(18)10-8-13)20-12(2)14-5-4-6-16(19)11-14/h4-12,17,20H,3H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-[1-(3-bromophenyl)ethyl]propan-1-amine?
1-(4-bromophenyl)-N-[1-(3-bromophenyl)ethyl]propan-1-amine has a molecular weight of 397.15 g/mol, XLogP of 6.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[1-(3-bromophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43673216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).