(1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine

C16H17Cl2N — CID 81363727

IUPAC(1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCc1cccc([C@H](C)NCc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C16H17Cl2N/c1-11-4-3-5-14(6-11)12(2)19-10-13-7-15(17)9-16(18)8-13/h3-9,12,19H,10H2,1-2H3/t12-/m0/s1
InChIKeyJIHIUQJOVTWOSB-LBPRGKRZSA-N
MW294.23 g/mol
LogP5.15
Rot. Bonds4

About (1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine

(1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine (PubChem CID 81363727) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is (1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
PubChem CID81363727
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name(1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCc1cccc([C@H](C)NCc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C16H17Cl2N/c1-11-4-3-5-14(6-11)12(2)19-10-13-7-15(17)9-16(18)8-13/h3-9,12,19H,10H2,1-2H3/t12-/m0/s1
InChIKeyJIHIUQJOVTWOSB-LBPRGKRZSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.23
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363703
3-[1-[(3,5-dichlorophenyl)methylamino]ethyl]phenol
CID 60790186
(1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81363211
(1R)-N-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348826
1-(3-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 54940014
(1R)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364360
(1S)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81361545
(1S)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 103991886
(1R)-N-[(2,4-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363606
(1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104756791
(1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363119
4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]benzonitrile
CID 81364333

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine (CID 81363727) is (1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine is Cc1cccc([C@H](C)NCc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of (1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine?
The InChIKey is JIHIUQJOVTWOSB-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-11-4-3-5-14(6-11)12(2)19-10-13-7-15(17)9-16(18)8-13/h3-9,12,19H,10H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine?
(1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine has a molecular weight of 294.23 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 81363727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).