1-(3-bromophenyl)-N-[(3,4-dichlorophenyl)methyl]ethanamine

C15H14BrCl2N — CID 43426655

IUPAC1-(3-bromophenyl)-N-[(3,4-dichlorophenyl)methyl]ethanamine
SMILESCC(NCc1ccc(Cl)c(Cl)c1)c1cccc(Br)c1
InChIInChI=1S/C15H14BrCl2N/c1-10(12-3-2-4-13(16)8-12)19-9-11-5-6-14(17)15(18)7-11/h2-8,10,19H,9H2,1H3
InChIKeyHXFPULWGRGLZNF-UHFFFAOYSA-N
MW359.09 g/mol
LogP5.61
Rot. Bonds4

About 1-(3-bromophenyl)-N-[(3,4-dichlorophenyl)methyl]ethanamine

1-(3-bromophenyl)-N-[(3,4-dichlorophenyl)methyl]ethanamine (PubChem CID 43426655) has the molecular formula C15H14BrCl2N and a molecular weight of 359.09 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[(3,4-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[(3,4-dichlorophenyl)methyl]ethanamine
PubChem CID43426655
Molecular FormulaC15H14BrCl2N
Molecular Weight359.09 g/mol
Exact Mass356.97
IUPAC Name1-(3-bromophenyl)-N-[(3,4-dichlorophenyl)methyl]ethanamine
SMILESCC(NCc1ccc(Cl)c(Cl)c1)c1cccc(Br)c1
InChIInChI=1S/C15H14BrCl2N/c1-10(12-3-2-4-13(16)8-12)19-9-11-5-6-14(17)15(18)7-11/h2-8,10,19H,9H2,1H3
InChIKeyHXFPULWGRGLZNF-UHFFFAOYSA-N
XLogP5.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.09
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3-bromophenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 81382162
(1R)-N-[(3,4-dichlorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376275
4-[[[(1R)-1-(3-bromophenyl)ethyl]amino]methyl]phenol
CID 81381238
(1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine
CID 81437241
(1S)-1-(3-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine
CID 28643531
1-(3-bromophenyl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62758584
N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56513401
N-[(3-bromophenyl)methyl]-1-phenylethanamine
CID 2756844
(1R)-1-(3-bromophenyl)-N-[(5-bromo-3-pyridinyl)methyl]ethanamine
CID 104797063
1-(3,4-dichlorophenyl)-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine
CID 115526020
1-(3-bromophenyl)-N-[(3-chloro-5-fluorophenyl)methyl]ethanamine
CID 114452325
(1S)-N-[(4-bromophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 28649443

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[(3,4-dichlorophenyl)methyl]ethanamine?
The IUPAC name of 1-(3-bromophenyl)-N-[(3,4-dichlorophenyl)methyl]ethanamine (CID 43426655) is 1-(3-bromophenyl)-N-[(3,4-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[(3,4-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-[(3,4-dichlorophenyl)methyl]ethanamine is CC(NCc1ccc(Cl)c(Cl)c1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-[(3,4-dichlorophenyl)methyl]ethanamine?
The InChIKey is HXFPULWGRGLZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2N/c1-10(12-3-2-4-13(16)8-12)19-9-11-5-6-14(17)15(18)7-11/h2-8,10,19H,9H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-[(3,4-dichlorophenyl)methyl]ethanamine?
1-(3-bromophenyl)-N-[(3,4-dichlorophenyl)methyl]ethanamine has a molecular weight of 359.09 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[(3,4-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 43426655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).