(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(3-chlorophenyl)ethanamine

C16H17Cl2N — CID 106816979

IUPAC(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(3-chlorophenyl)ethanamine
SMILESCc1ccc(CN[C@H](C)c2cccc(Cl)c2)cc1Cl
InChIInChI=1S/C16H17Cl2N/c1-11-6-7-13(8-16(11)18)10-19-12(2)14-4-3-5-15(17)9-14/h3-9,12,19H,10H2,1-2H3/t12-/m1/s1
InChIKeyAZTKZQQRGBFHQJ-GFCCVEGCSA-N
MW294.23 g/mol
LogP5.15
Rot. Bonds4

About (1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(3-chlorophenyl)ethanamine

(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(3-chlorophenyl)ethanamine (PubChem CID 106816979) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is (1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(3-chlorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(3-chlorophenyl)ethanamine
PubChem CID106816979
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(3-chlorophenyl)ethanamine
SMILESCc1ccc(CN[C@H](C)c2cccc(Cl)c2)cc1Cl
InChIInChI=1S/C16H17Cl2N/c1-11-6-7-13(8-16(11)18)10-19-12(2)14-4-3-5-15(17)9-14/h3-9,12,19H,10H2,1-2H3/t12-/m1/s1
InChIKeyAZTKZQQRGBFHQJ-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

1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 43080024
1-(3-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 54940014
(1S)-N-[(4-bromophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 28649443
(1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363703
(1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 30052784
1-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43181407
4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]benzoic acid
CID 81366062
1-(3-chlorophenyl)-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79978825
(1R)-1-(3-chlorophenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437957
4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-2-fluorophenol
CID 107685896
(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 106816985
(1S)-1-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 29276650

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(3-chlorophenyl)ethanamine?
The IUPAC name of (1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(3-chlorophenyl)ethanamine (CID 106816979) is (1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(3-chlorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(3-chlorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(3-chlorophenyl)ethanamine is Cc1ccc(CN[C@H](C)c2cccc(Cl)c2)cc1Cl.
What is the InChIKey of (1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(3-chlorophenyl)ethanamine?
The InChIKey is AZTKZQQRGBFHQJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-11-6-7-13(8-16(11)18)10-19-12(2)14-4-3-5-15(17)9-14/h3-9,12,19H,10H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(3-chlorophenyl)ethanamine?
(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(3-chlorophenyl)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-chloro-4-methylphenyl)methyl]-1-(3-chlorophenyl)ethanamine is sourced from PubChem (CID 106816979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).