(1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-pyridin-3-ylethanamine

C17H22N2 — CID 81344166

IUPAC(1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-pyridin-3-ylethanamine
SMILESCc1ccc(C)c(C(C)N[C@@H](C)c2cccnc2)c1
InChIInChI=1S/C17H22N2/c1-12-7-8-13(2)17(10-12)15(4)19-14(3)16-6-5-9-18-11-16/h5-11,14-15,19H,1-4H3/t14-,15?/m0/s1
InChIKeySWOUVXAGQDCVGR-MLCCFXAWSA-N
MW254.38 g/mol
LogP4.11
Rot. Bonds4

About (1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-pyridin-3-ylethanamine

(1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-pyridin-3-ylethanamine (PubChem CID 81344166) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is (1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-pyridin-3-ylethanamine
PubChem CID81344166
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name(1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-pyridin-3-ylethanamine
SMILESCc1ccc(C)c(C(C)N[C@@H](C)c2cccnc2)c1
InChIInChI=1S/C17H22N2/c1-12-7-8-13(2)17(10-12)15(4)19-14(3)16-6-5-9-18-11-16/h5-11,14-15,19H,1-4H3/t14-,15?/m0/s1
InChIKeySWOUVXAGQDCVGR-MLCCFXAWSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[1-(2-methoxy-4-methylphenyl)ethyl]-1-pyridin-3-ylethanamine
CID 81344839
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
(1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81354278
(1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81407144
N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 43095447
2-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenol
CID 81407326
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 79691249
N-[1-(2,4-dichlorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 43193785
1-(3-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79139230
(1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 82964366
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 43768143
1-(4-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79690838

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-pyridin-3-ylethanamine?
The IUPAC name of (1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-pyridin-3-ylethanamine (CID 81344166) is (1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for (1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for (1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-pyridin-3-ylethanamine is Cc1ccc(C)c(C(C)N[C@@H](C)c2cccnc2)c1.
What is the InChIKey of (1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-pyridin-3-ylethanamine?
The InChIKey is SWOUVXAGQDCVGR-MLCCFXAWSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-7-8-13(2)17(10-12)15(4)19-14(3)16-6-5-9-18-11-16/h5-11,14-15,19H,1-4H3/t14-,15?/m0/s1.
What are the key properties of (1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-pyridin-3-ylethanamine?
(1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-pyridin-3-ylethanamine has a molecular weight of 254.38 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 81344166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).