(1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine

C15H14Cl3N — CID 30052784

IUPAC(1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
SMILESC[C@H](NCc1c(Cl)cccc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C15H14Cl3N/c1-10(11-4-2-5-12(16)8-11)19-9-13-14(17)6-3-7-15(13)18/h2-8,10,19H,9H2,1H3/t10-/m0/s1
InChIKeyRALBFJPCIIPMMR-JTQLQIEISA-N
MW314.64 g/mol
LogP5.50
Rot. Bonds4

About (1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine

(1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine (PubChem CID 30052784) has the molecular formula C15H14Cl3N and a molecular weight of 314.64 g/mol. Its IUPAC name is (1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
PubChem CID30052784
Molecular FormulaC15H14Cl3N
Molecular Weight314.64 g/mol
Exact Mass313.02
IUPAC Name(1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
SMILESC[C@H](NCc1c(Cl)cccc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C15H14Cl3N/c1-10(11-4-2-5-12(16)8-11)19-9-13-14(17)6-3-7-15(13)18/h2-8,10,19H,9H2,1H3/t10-/m0/s1
InChIKeyRALBFJPCIIPMMR-JTQLQIEISA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.64
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
CID 43178091
(1S)-N-[(2-chloro-6-nitrophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 81370984
(1S)-N-[(2,6-dichlorophenyl)methyl]-1-phenylethanamine
CID 961193
1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 43080024
N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 114841425
(1S)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 104979988
1-[1-(3-chlorophenyl)ethylamino]propan-2-ol
CID 43499317
1-(3-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 54940014
[1-(3-chlorophenyl)ethylamino]methanethiol
CID 88942824
(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 106816979
(1S)-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 106263607
1-(3-chlorophenyl)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine
CID 43552261

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine (CID 30052784) is (1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine is C[C@H](NCc1c(Cl)cccc1Cl)c1cccc(Cl)c1.
What is the InChIKey of (1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine?
The InChIKey is RALBFJPCIIPMMR-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14Cl3N/c1-10(11-4-2-5-12(16)8-11)19-9-13-14(17)6-3-7-15(13)18/h2-8,10,19H,9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine?
(1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine has a molecular weight of 314.64 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 30052784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).