(1S)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylethanamine

C18H18N2S — CID 78951056

IUPAC(1S)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
SMILESC[C@H](NCc1ccc(-c2ccccc2)s1)c1cccnc1
InChIInChI=1S/C18H18N2S/c1-14(16-8-5-11-19-12-16)20-13-17-9-10-18(21-17)15-6-3-2-4-7-15/h2-12,14,20H,13H2,1H3/t14-/m0/s1
InChIKeyDBGAZBDTINQJPF-AWEZNQCLSA-N
MW294.42 g/mol
LogP4.66
Rot. Bonds5

About (1S)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylethanamine

(1S)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylethanamine (PubChem CID 78951056) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is (1S)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
PubChem CID78951056
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name(1S)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
SMILESC[C@H](NCc1ccc(-c2ccccc2)s1)c1cccnc1
InChIInChI=1S/C18H18N2S/c1-14(16-8-5-11-19-12-16)20-13-17-9-10-18(21-17)15-6-3-2-4-7-15/h2-12,14,20H,13H2,1H3/t14-/m0/s1
InChIKeyDBGAZBDTINQJPF-AWEZNQCLSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 43222571
(1R)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81395728
N-[(5-chlorothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 43181722
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 28655921
N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43213873
2-[5-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]thiophen-2-yl]acetic acid
CID 82888377
5-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]thiophene-2-carbonitrile
CID 113250098
1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine
CID 78022429
(1R)-N-[[5-(4-nitrophenyl)thiophen-2-yl]methyl]-1-phenylethanamine
CID 124690099
(1R)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 102836873
2-methyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-3-amine
CID 55191795
(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 28669732

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylethanamine?
The IUPAC name of (1S)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylethanamine (CID 78951056) is (1S)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for (1S)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for (1S)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylethanamine is C[C@H](NCc1ccc(-c2ccccc2)s1)c1cccnc1.
What is the InChIKey of (1S)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylethanamine?
The InChIKey is DBGAZBDTINQJPF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18N2S/c1-14(16-8-5-11-19-12-16)20-13-17-9-10-18(21-17)15-6-3-2-4-7-15/h2-12,14,20H,13H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylethanamine?
(1S)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylethanamine has a molecular weight of 294.42 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 78951056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).