(1R)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine

C19H24ClN — CID 81375595

IUPAC(1R)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
SMILESCc1cc(C)c(C(C)N[C@H](C)c2ccccc2Cl)c(C)c1
InChIInChI=1S/C19H24ClN/c1-12-10-13(2)19(14(3)11-12)16(5)21-15(4)17-8-6-7-9-18(17)20/h6-11,15-16,21H,1-5H3/t15-,16?/m1/s1
InChIKeyPOWGCNHPQASBBO-AAFJCEBUSA-N
MW301.86 g/mol
LogP5.68
Rot. Bonds4

About (1R)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine

(1R)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine (PubChem CID 81375595) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is (1R)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
PubChem CID81375595
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name(1R)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
SMILESCc1cc(C)c(C(C)N[C@H](C)c2ccccc2Cl)c(C)c1
InChIInChI=1S/C19H24ClN/c1-12-10-13(2)19(14(3)11-12)16(5)21-15(4)17-8-6-7-9-18(17)20/h6-11,15-16,21H,1-5H3/t15-,16?/m1/s1
InChIKeyPOWGCNHPQASBBO-AAFJCEBUSA-N
XLogP5.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 81375605
1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 43767368
(1S)-1-(2-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 81374122
(1S)-1-(2-chlorophenyl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine
CID 81377416
1-(2-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 22483271
2-[1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]ethyl]-5-methylphenol
CID 81377013
2,6-dichloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 65469512
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 81377556
(1R)-1-(4-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine
CID 81355519
N-[1-(2,4,6-trimethylphenyl)ethyl]propan-2-amine
CID 43190075
(1S)-1-(3-methylphenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 81367068
N-[1-(2-chlorophenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine
CID 22483401

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine?
The IUPAC name of (1R)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine (CID 81375595) is (1R)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine is Cc1cc(C)c(C(C)N[C@H](C)c2ccccc2Cl)c(C)c1.
What is the InChIKey of (1R)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine?
The InChIKey is POWGCNHPQASBBO-AAFJCEBUSA-N. The full InChI is InChI=1S/C19H24ClN/c1-12-10-13(2)19(14(3)11-12)16(5)21-15(4)17-8-6-7-9-18(17)20/h6-11,15-16,21H,1-5H3/t15-,16?/m1/s1.
What are the key properties of (1R)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine?
(1R)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine has a molecular weight of 301.86 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine is sourced from PubChem (CID 81375595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).