N-[1-(2,4-dibromophenyl)ethyl]-1-phenylbutan-1-amine

C18H21Br2N — CID 60781859

IUPACN-[1-(2,4-dibromophenyl)ethyl]-1-phenylbutan-1-amine
SMILESCCCC(NC(C)c1ccc(Br)cc1Br)c1ccccc1
InChIInChI=1S/C18H21Br2N/c1-3-7-18(14-8-5-4-6-9-14)21-13(2)16-11-10-15(19)12-17(16)20/h4-6,8-13,18,21H,3,7H2,1-2H3
InChIKeyBYWWFENSKIVTRL-UHFFFAOYSA-N
MW411.18 g/mol
LogP6.40
Rot. Bonds6

About N-[1-(2,4-dibromophenyl)ethyl]-1-phenylbutan-1-amine

N-[1-(2,4-dibromophenyl)ethyl]-1-phenylbutan-1-amine (PubChem CID 60781859) has the molecular formula C18H21Br2N and a molecular weight of 411.18 g/mol. Its IUPAC name is N-[1-(2,4-dibromophenyl)ethyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dibromophenyl)ethyl]-1-phenylbutan-1-amine
PubChem CID60781859
Molecular FormulaC18H21Br2N
Molecular Weight411.18 g/mol
Exact Mass409.00
IUPAC NameN-[1-(2,4-dibromophenyl)ethyl]-1-phenylbutan-1-amine
SMILESCCCC(NC(C)c1ccc(Br)cc1Br)c1ccccc1
InChIInChI=1S/C18H21Br2N/c1-3-7-18(14-8-5-4-6-9-14)21-13(2)16-11-10-15(19)12-17(16)20/h4-6,8-13,18,21H,3,7H2,1-2H3
InChIKeyBYWWFENSKIVTRL-UHFFFAOYSA-N
XLogP6.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.18
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylbutan-1-amine
CID 81359932
N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylbutan-1-amine
CID 43720327
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-phenylbutan-1-amine
CID 81377753
N-[1-(2,5-dimethylphenyl)ethyl]-1-phenylbutan-1-amine
CID 43720303
N-[1-(2,4-dibromophenyl)ethyl]butan-2-amine
CID 60781142
N-[cyclopropyl(phenyl)methyl]-1-(2,4-dibromophenyl)ethanamine
CID 60781974
1-phenyl-N-propan-2-ylbutan-1-amine
CID 43177244
N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 82774195
1-(2,4-dibromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 81375703
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 81406430
N-[1-(2,4-dibromophenyl)ethyl]-5-methylhexan-2-amine
CID 60781473
1-(2,4-dibromophenyl)-N,3-dimethylhexan-1-amine
CID 107945526

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dibromophenyl)ethyl]-1-phenylbutan-1-amine?
The IUPAC name of N-[1-(2,4-dibromophenyl)ethyl]-1-phenylbutan-1-amine (CID 60781859) is N-[1-(2,4-dibromophenyl)ethyl]-1-phenylbutan-1-amine.
What is the SMILES notation for N-[1-(2,4-dibromophenyl)ethyl]-1-phenylbutan-1-amine?
The canonical SMILES for N-[1-(2,4-dibromophenyl)ethyl]-1-phenylbutan-1-amine is CCCC(NC(C)c1ccc(Br)cc1Br)c1ccccc1.
What is the InChIKey of N-[1-(2,4-dibromophenyl)ethyl]-1-phenylbutan-1-amine?
The InChIKey is BYWWFENSKIVTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Br2N/c1-3-7-18(14-8-5-4-6-9-14)21-13(2)16-11-10-15(19)12-17(16)20/h4-6,8-13,18,21H,3,7H2,1-2H3.
What are the key properties of N-[1-(2,4-dibromophenyl)ethyl]-1-phenylbutan-1-amine?
N-[1-(2,4-dibromophenyl)ethyl]-1-phenylbutan-1-amine has a molecular weight of 411.18 g/mol, XLogP of 6.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dibromophenyl)ethyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 60781859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).