(1S)-N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylethanamine

C18H23N — CID 81350273

IUPAC(1S)-N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylethanamine
SMILESCc1ccc(C(C)N[C@@H](C)c2ccccc2)c(C)c1
InChIInChI=1S/C18H23N/c1-13-10-11-18(14(2)12-13)16(4)19-15(3)17-8-6-5-7-9-17/h5-12,15-16,19H,1-4H3/t15-,16?/m0/s1
InChIKeyXWDWJADXKIQOAS-VYRBHSGPSA-N
MW253.39 g/mol
LogP4.72
Rot. Bonds4

About (1S)-N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylethanamine

(1S)-N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylethanamine (PubChem CID 81350273) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is (1S)-N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylethanamine
PubChem CID81350273
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name(1S)-N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylethanamine
SMILESCc1ccc(C(C)N[C@@H](C)c2ccccc2)c(C)c1
InChIInChI=1S/C18H23N/c1-13-10-11-18(14(2)12-13)16(4)19-15(3)17-8-6-5-7-9-17/h5-12,15-16,19H,1-4H3/t15-,16?/m0/s1
InChIKeyXWDWJADXKIQOAS-VYRBHSGPSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 43685413
(1R)-1-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine
CID 81352684
N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylbutan-1-amine
CID 43720327
(1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 79040987
1-(3,4-difluorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine
CID 43680989
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 60944672
N-[1-(2,4-dichlorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 43105207
N-[1-(2,4-dibromophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 63449322
2,4-dimethyl-1-[(4-methylphenyl)-phenylmethyl]benzene
CID 22389703
(2,4-dimethylphenyl)-phenylmethanol
CID 3807153
1-(4-methylphenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 54863165
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine
CID 130067534

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylethanamine?
The IUPAC name of (1S)-N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylethanamine (CID 81350273) is (1S)-N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylethanamine.
What is the SMILES notation for (1S)-N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylethanamine?
The canonical SMILES for (1S)-N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylethanamine is Cc1ccc(C(C)N[C@@H](C)c2ccccc2)c(C)c1.
What is the InChIKey of (1S)-N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylethanamine?
The InChIKey is XWDWJADXKIQOAS-VYRBHSGPSA-N. The full InChI is InChI=1S/C18H23N/c1-13-10-11-18(14(2)12-13)16(4)19-15(3)17-8-6-5-7-9-17/h5-12,15-16,19H,1-4H3/t15-,16?/m0/s1.
What are the key properties of (1S)-N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylethanamine?
(1S)-N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylethanamine has a molecular weight of 253.39 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylethanamine is sourced from PubChem (CID 81350273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).