(1R)-N-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine

C16H17Cl2N — CID 81348826

IUPAC(1R)-N-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@@H](C)NCc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C16H17Cl2N/c1-11-3-5-14(6-4-11)12(2)19-10-13-7-15(17)9-16(18)8-13/h3-9,12,19H,10H2,1-2H3/t12-/m1/s1
InChIKeyGLYDJTYXZHPDCV-GFCCVEGCSA-N
MW294.23 g/mol
LogP5.15
Rot. Bonds4

About (1R)-N-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine

(1R)-N-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine (PubChem CID 81348826) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is (1R)-N-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine
PubChem CID81348826
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name(1R)-N-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@@H](C)NCc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C16H17Cl2N/c1-11-3-5-14(6-4-11)12(2)19-10-13-7-15(17)9-16(18)8-13/h3-9,12,19H,10H2,1-2H3/t12-/m1/s1
InChIKeyGLYDJTYXZHPDCV-GFCCVEGCSA-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

(1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363727
N-[(3,5-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 62050092
(1R)-N-[(3,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406292
(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 105403222
N-[(3-bromo-5-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 79710852
(1S)-N-[(4-chloro-3-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81357069
N-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine
CID 78950390
2,6-difluoro-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81349588
(1R)-N-[(2,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356867
(1S)-N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349778
(1R)-N-[(4-ethylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81350057
N-[(2-chloro-4-methylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 106862514

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of (1R)-N-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine (CID 81348826) is (1R)-N-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine is Cc1ccc([C@@H](C)NCc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of (1R)-N-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is GLYDJTYXZHPDCV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-11-3-5-14(6-4-11)12(2)19-10-13-7-15(17)9-16(18)8-13/h3-9,12,19H,10H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-N-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine?
(1R)-N-[(3,5-dichlorophenyl)methyl]-1-(4-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 (1R)-N-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 81348826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).