(1S)-1-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine

C15H14BrCl2N — CID 81355291

IUPAC(1S)-1-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
SMILESC[C@H](NCc1c(Cl)cccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrCl2N/c1-10(11-5-7-12(16)8-6-11)19-9-13-14(17)3-2-4-15(13)18/h2-8,10,19H,9H2,1H3/t10-/m0/s1
InChIKeyVEUXPISJONKHKN-JTQLQIEISA-N
MW359.09 g/mol
LogP5.61
Rot. Bonds4

About (1S)-1-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine

(1S)-1-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine (PubChem CID 81355291) has the molecular formula C15H14BrCl2N and a molecular weight of 359.09 g/mol. Its IUPAC name is (1S)-1-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
PubChem CID81355291
Molecular FormulaC15H14BrCl2N
Molecular Weight359.09 g/mol
Exact Mass356.97
IUPAC Name(1S)-1-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
SMILESC[C@H](NCc1c(Cl)cccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrCl2N/c1-10(11-5-7-12(16)8-6-11)19-9-13-14(17)3-2-4-15(13)18/h2-8,10,19H,9H2,1H3/t10-/m0/s1
InChIKeyVEUXPISJONKHKN-JTQLQIEISA-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-(4-bromophenyl)-N-[(2,3-dichlorophenyl)methyl]ethanamine
CID 81354018
(1S)-N-[(2,6-dichlorophenyl)methyl]-1-phenylethanamine
CID 961193
N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66241780
(1R)-N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 28517521
2-[[[(1S)-1-(3-bromophenyl)ethyl]amino]methyl]-3-chlorophenol
CID 114318274
(1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 30052784
(1S)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 83230594
(1R)-1-(4-bromophenyl)-N-[(2,5-dichlorophenyl)methyl]ethanamine
CID 81360024
(1R)-1-(3-bromophenyl)-N-[(2-chloro-6-methoxyphenyl)methyl]ethanamine
CID 104816085
(1S)-1-(4-bromophenyl)-N-[(3-chloro-4-pyridinyl)methyl]ethanamine
CID 81359257
4-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenol
CID 103292031
(1R)-1-(4-bromophenyl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81359642

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine (CID 81355291) is (1S)-1-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine is C[C@H](NCc1c(Cl)cccc1Cl)c1ccc(Br)cc1.
What is the InChIKey of (1S)-1-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine?
The InChIKey is VEUXPISJONKHKN-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14BrCl2N/c1-10(11-5-7-12(16)8-6-11)19-9-13-14(17)3-2-4-15(13)18/h2-8,10,19H,9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine?
(1S)-1-(4-bromophenyl)-N-[(2,6-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 (1S)-1-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 81355291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).