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

C17H18BrCl2N — CID 43779041

IUPACN-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)propan-1-amine
SMILESCCC(NC(C)c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18BrCl2N/c1-3-17(13-7-8-15(19)16(20)10-13)21-11(2)12-5-4-6-14(18)9-12/h4-11,17,21H,3H2,1-2H3
InChIKeyONVCSPMFSLNBDB-UHFFFAOYSA-N
MW387.15 g/mol
LogP6.56
Rot. Bonds5

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

N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)propan-1-amine (PubChem CID 43779041) has the molecular formula C17H18BrCl2N and a molecular weight of 387.15 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)propan-1-amine
PubChem CID43779041
Molecular FormulaC17H18BrCl2N
Molecular Weight387.15 g/mol
Exact Mass385.00
IUPAC NameN-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)propan-1-amine
SMILESCCC(NC(C)c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18BrCl2N/c1-3-17(13-7-8-15(19)16(20)10-13)21-11(2)12-5-4-6-14(18)9-12/h4-11,17,21H,3H2,1-2H3
InChIKeyONVCSPMFSLNBDB-UHFFFAOYSA-N
XLogP6.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.15
LogP ≤ 56.56
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
1-(4-bromophenyl)-N-[1-(3-bromophenyl)ethyl]propan-1-amine
CID 43673216
1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81363349
1-(3-bromophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 81351033
4-[1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propyl]phenol
CID 81381060
N-[1-(3-bromophenyl)propyl]butan-2-amine
CID 43756359
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
N-[1-(3-bromophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 43673198
N-[(1S)-1-(3-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 81381061
N-[(1R)-1-(3-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 81382148
N-[1-(3-bromophenyl)propyl]but-3-yn-2-amine
CID 114415261

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)propan-1-amine?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)propan-1-amine (CID 43779041) is N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)propan-1-amine.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)propan-1-amine?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)propan-1-amine is CCC(NC(C)c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)propan-1-amine?
The InChIKey is ONVCSPMFSLNBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrCl2N/c1-3-17(13-7-8-15(19)16(20)10-13)21-11(2)12-5-4-6-14(18)9-12/h4-11,17,21H,3H2,1-2H3.
What are the key properties of N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)propan-1-amine?
N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)propan-1-amine has a molecular weight of 387.15 g/mol, XLogP of 6.56, 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-(3,4-dichlorophenyl)propan-1-amine is sourced from PubChem (CID 43779041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).