(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine

C15H18N2 — CID 11413502

IUPAC(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
SMILESC[C@H](N[C@@H](C)c1cccnc1)c1ccccc1
InChIInChI=1S/C15H18N2/c1-12(14-7-4-3-5-8-14)17-13(2)15-9-6-10-16-11-15/h3-13,17H,1-2H3/t12-,13-/m0/s1
InChIKeyYYJGAXQYFPKFCG-STQMWFEESA-N
MW226.32 g/mol
LogP3.49
Rot. Bonds4

About (1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine

(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine (PubChem CID 11413502) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
PubChem CID11413502
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
SMILESC[C@H](N[C@@H](C)c1cccnc1)c1ccccc1
InChIInChI=1S/C15H18N2/c1-12(14-7-4-3-5-8-14)17-13(2)15-9-6-10-16-11-15/h3-13,17H,1-2H3/t12-,13-/m0/s1
InChIKeyYYJGAXQYFPKFCG-STQMWFEESA-N
XLogP3.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81406480
1-(4-iodophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 81345023
1-(4-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79690838
1-(4-methylsulfanylphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79139134
2-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenol
CID 81407326
1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81407071
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 79691249
1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine
CID 81407650
4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile
CID 81407237
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butan-1-amine
CID 81406901
(1S)-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-3-ylethanamine
CID 106757978

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine?
The IUPAC name of (1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine (CID 11413502) is (1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine.
What is the SMILES notation for (1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine?
The canonical SMILES for (1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine is C[C@H](N[C@@H](C)c1cccnc1)c1ccccc1.
What is the InChIKey of (1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine?
The InChIKey is YYJGAXQYFPKFCG-STQMWFEESA-N. The full InChI is InChI=1S/C15H18N2/c1-12(14-7-4-3-5-8-14)17-13(2)15-9-6-10-16-11-15/h3-13,17H,1-2H3/t12-,13-/m0/s1.
What are the key properties of (1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine?
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine has a molecular weight of 226.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine is sourced from PubChem (CID 11413502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).