(1R)-1-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine

C18H22ClN — CID 81352684

IUPAC(1R)-1-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine
SMILESCc1ccc(C(C)N[C@H](C)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C18H22ClN/c1-12-5-10-18(13(2)11-12)15(4)20-14(3)16-6-8-17(19)9-7-16/h5-11,14-15,20H,1-4H3/t14-,15?/m1/s1
InChIKeyZQDSUPQTLAWULZ-GICMACPYSA-N
MW287.83 g/mol
LogP5.37
Rot. Bonds4

About (1R)-1-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine

(1R)-1-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine (PubChem CID 81352684) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine
PubChem CID81352684
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name(1R)-1-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine
SMILESCc1ccc(C(C)N[C@H](C)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C18H22ClN/c1-12-5-10-18(13(2)11-12)15(4)20-14(3)16-6-8-17(19)9-7-16/h5-11,14-15,20H,1-4H3/t14-,15?/m1/s1
InChIKeyZQDSUPQTLAWULZ-GICMACPYSA-N
XLogP5.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.83
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-difluorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine
CID 43680989
N-[1-(2,4-dichlorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 43105207
(1S)-N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylethanamine
CID 81350273
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81355634
4-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43097496
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 63449279
(4-chlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 43198498
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 63448794
2,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43105982
4-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]-3-fluorophenol
CID 107715286
(1R)-1-(4-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine
CID 81355519
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 60944672

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine?
The IUPAC name of (1R)-1-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine (CID 81352684) is (1R)-1-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine is Cc1ccc(C(C)N[C@H](C)c2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine?
The InChIKey is ZQDSUPQTLAWULZ-GICMACPYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-12-5-10-18(13(2)11-12)15(4)20-14(3)16-6-8-17(19)9-7-16/h5-11,14-15,20H,1-4H3/t14-,15?/m1/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine?
(1R)-1-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine has a molecular weight of 287.83 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine is sourced from PubChem (CID 81352684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).