N-[cyclopropyl(phenyl)methyl]-1-(2,4-dibromophenyl)ethanamine

C18H19Br2N — CID 60781974

IUPACN-[cyclopropyl(phenyl)methyl]-1-(2,4-dibromophenyl)ethanamine
SMILESCC(NC(c1ccccc1)C1CC1)c1ccc(Br)cc1Br
InChIInChI=1S/C18H19Br2N/c1-12(16-10-9-15(19)11-17(16)20)21-18(14-7-8-14)13-5-3-2-4-6-13/h2-6,9-12,14,18,21H,7-8H2,1H3
InChIKeyYWVKASATGFYDLL-UHFFFAOYSA-N
MW409.17 g/mol
LogP6.01
Rot. Bonds5

About N-[cyclopropyl(phenyl)methyl]-1-(2,4-dibromophenyl)ethanamine

N-[cyclopropyl(phenyl)methyl]-1-(2,4-dibromophenyl)ethanamine (PubChem CID 60781974) has the molecular formula C18H19Br2N and a molecular weight of 409.17 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-1-(2,4-dibromophenyl)ethanamine.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-1-(2,4-dibromophenyl)ethanamine
PubChem CID60781974
Molecular FormulaC18H19Br2N
Molecular Weight409.17 g/mol
Exact Mass406.99
IUPAC NameN-[cyclopropyl(phenyl)methyl]-1-(2,4-dibromophenyl)ethanamine
SMILESCC(NC(c1ccccc1)C1CC1)c1ccc(Br)cc1Br
InChIInChI=1S/C18H19Br2N/c1-12(16-10-9-15(19)11-17(16)20)21-18(14-7-8-14)13-5-3-2-4-6-13/h2-6,9-12,14,18,21H,7-8H2,1H3
InChIKeyYWVKASATGFYDLL-UHFFFAOYSA-N
XLogP6.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.17
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2-bromophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
CID 81378467
(1R)-1-(2-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81378755
4-[1-[[cyclopropyl(phenyl)methyl]amino]ethyl]-3-fluorophenol
CID 107714853
(1S)-1-cycloheptyl-N-[1-(2,4-dibromophenyl)ethyl]ethanamine
CID 81391306
N-[1-(2,4-dibromophenyl)ethyl]-1-phenylbutan-1-amine
CID 60781859
(1R)-1-(3-bromofuran-2-yl)-N-[(S)-cyclopropyl(phenyl)methyl]ethanamine
CID 97321709
(1S)-1-(3-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81382422
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
1-(2,4-dibromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 81375703
(1S)-1-(3-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
CID 81366288
(1R)-N-[cyclopropyl(phenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406216
N-[cyclopropyl(phenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43724263

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-1-(2,4-dibromophenyl)ethanamine?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-1-(2,4-dibromophenyl)ethanamine (CID 60781974) is N-[cyclopropyl(phenyl)methyl]-1-(2,4-dibromophenyl)ethanamine.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-1-(2,4-dibromophenyl)ethanamine?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-1-(2,4-dibromophenyl)ethanamine is CC(NC(c1ccccc1)C1CC1)c1ccc(Br)cc1Br.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-1-(2,4-dibromophenyl)ethanamine?
The InChIKey is YWVKASATGFYDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Br2N/c1-12(16-10-9-15(19)11-17(16)20)21-18(14-7-8-14)13-5-3-2-4-6-13/h2-6,9-12,14,18,21H,7-8H2,1H3.
What are the key properties of N-[cyclopropyl(phenyl)methyl]-1-(2,4-dibromophenyl)ethanamine?
N-[cyclopropyl(phenyl)methyl]-1-(2,4-dibromophenyl)ethanamine has a molecular weight of 409.17 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 N-[cyclopropyl(phenyl)methyl]-1-(2,4-dibromophenyl)ethanamine is sourced from PubChem (CID 60781974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).