(1S)-N-[phenyl(pyridin-2-yl)methyl]-1-thiophen-2-ylethanamine

C18H18N2S — CID 81389419

IUPAC(1S)-N-[phenyl(pyridin-2-yl)methyl]-1-thiophen-2-ylethanamine
SMILESC[C@H](NC(c1ccccc1)c1ccccn1)c1cccs1
InChIInChI=1S/C18H18N2S/c1-14(17-11-7-13-21-17)20-18(15-8-3-2-4-9-15)16-10-5-6-12-19-16/h2-14,18,20H,1H3/t14-,18?/m0/s1
InChIKeyZHSAIMOIRDNGKL-PIVQAISJSA-N
MW294.42 g/mol
LogP4.58
Rot. Bonds5

About (1S)-N-[phenyl(pyridin-2-yl)methyl]-1-thiophen-2-ylethanamine

(1S)-N-[phenyl(pyridin-2-yl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 81389419) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is (1S)-N-[phenyl(pyridin-2-yl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[phenyl(pyridin-2-yl)methyl]-1-thiophen-2-ylethanamine
PubChem CID81389419
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name(1S)-N-[phenyl(pyridin-2-yl)methyl]-1-thiophen-2-ylethanamine
SMILESC[C@H](NC(c1ccccc1)c1ccccn1)c1cccs1
InChIInChI=1S/C18H18N2S/c1-14(17-11-7-13-21-17)20-18(15-8-3-2-4-9-15)16-10-5-6-12-19-16/h2-14,18,20H,1H3/t14-,18?/m0/s1
InChIKeyZHSAIMOIRDNGKL-PIVQAISJSA-N
XLogP4.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[phenyl(pyridin-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81388446
(1S)-1-(3-methylthiophen-2-yl)-N-[(S)-phenyl(pyridin-2-yl)methyl]ethanamine
CID 97073226
3-ethyl-N-[phenyl(pyridin-2-yl)methyl]pentan-2-amine
CID 63842105
2-methyl-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398198
(2R)-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]propanamide
CID 34156658
(2R)-3-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]butan-1-ol
CID 68622948
N-[(R)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide
CID 32945038
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398812
(1R)-1-cyclopentyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 81389751
1-pyridin-4-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81398579
1-[[phenyl(pyridin-2-yl)methyl]amino]-2-thiophen-2-ylpropan-2-ol
CID 110010749
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81399284

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[phenyl(pyridin-2-yl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of (1S)-N-[phenyl(pyridin-2-yl)methyl]-1-thiophen-2-ylethanamine (CID 81389419) is (1S)-N-[phenyl(pyridin-2-yl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1S)-N-[phenyl(pyridin-2-yl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for (1S)-N-[phenyl(pyridin-2-yl)methyl]-1-thiophen-2-ylethanamine is C[C@H](NC(c1ccccc1)c1ccccn1)c1cccs1.
What is the InChIKey of (1S)-N-[phenyl(pyridin-2-yl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is ZHSAIMOIRDNGKL-PIVQAISJSA-N. The full InChI is InChI=1S/C18H18N2S/c1-14(17-11-7-13-21-17)20-18(15-8-3-2-4-9-15)16-10-5-6-12-19-16/h2-14,18,20H,1H3/t14-,18?/m0/s1.
What are the key properties of (1S)-N-[phenyl(pyridin-2-yl)methyl]-1-thiophen-2-ylethanamine?
(1S)-N-[phenyl(pyridin-2-yl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 294.42 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[phenyl(pyridin-2-yl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 81389419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).