N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine

C18H18N2S — CID 61019203

IUPACN-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
SMILESCC(NCc1cc(-c2ccccc2)cs1)c1ccncc1
InChIInChI=1S/C18H18N2S/c1-14(15-7-9-19-10-8-15)20-12-18-11-17(13-21-18)16-5-3-2-4-6-16/h2-11,13-14,20H,12H2,1H3
InChIKeyGYEJPRMMEAEJNV-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.66
Rot. Bonds5

About N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine

N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 61019203) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
PubChem CID61019203
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC NameN-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
SMILESCC(NCc1cc(-c2ccccc2)cs1)c1ccncc1
InChIInChI=1S/C18H18N2S/c1-14(15-7-9-19-10-8-15)20-12-18-11-17(13-21-18)16-5-3-2-4-6-16/h2-11,13-14,20H,12H2,1H3
InChIKeyGYEJPRMMEAEJNV-UHFFFAOYSA-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

5-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]thiophene-3-carboxylic acid
CID 81405327
(1R)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81395728
1-(5-methylfuran-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine
CID 61017877
3,3-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]butan-2-amine
CID 104827818
2-methyl-N-[(4-phenylthiophen-2-yl)methyl]pentan-3-amine
CID 55191416
N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 61017624
2-[(4-phenylthiophen-2-yl)methylamino]propanoic acid
CID 54960058
1-methylsulfanyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine
CID 115639875
1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62758658
(1S)-1-(4-chlorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81355528
methyl 2-[(4-phenylthiophen-2-yl)methylamino]propanoate
CID 61018262
(1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81406357

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine (CID 61019203) is N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine is CC(NCc1cc(-c2ccccc2)cs1)c1ccncc1.
What is the InChIKey of N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is GYEJPRMMEAEJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-14(15-7-9-19-10-8-15)20-12-18-11-17(13-21-18)16-5-3-2-4-6-16/h2-11,13-14,20H,12H2,1H3.
What are the key properties of N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine?
N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-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 N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 61019203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).