1-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine

C19H19NS — CID 43222571

IUPAC1-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
SMILESCC(NCc1ccc(-c2ccccc2)s1)c1ccccc1
InChIInChI=1S/C19H19NS/c1-15(16-8-4-2-5-9-16)20-14-18-12-13-19(21-18)17-10-6-3-7-11-17/h2-13,15,20H,14H2,1H3
InChIKeyWHHUHSZFFVQBKS-UHFFFAOYSA-N
MW293.44 g/mol
LogP5.27
Rot. Bonds5

About 1-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine

1-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine (PubChem CID 43222571) has the molecular formula C19H19NS and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
PubChem CID43222571
Molecular FormulaC19H19NS
Molecular Weight293.44 g/mol
Exact Mass293.12
IUPAC Name1-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
SMILESCC(NCc1ccc(-c2ccccc2)s1)c1ccccc1
InChIInChI=1S/C19H19NS/c1-15(16-8-4-2-5-9-16)20-14-18-12-13-19(21-18)17-10-6-3-7-11-17/h2-13,15,20H,14H2,1H3
InChIKeyWHHUHSZFFVQBKS-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.44
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81395728
1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine
CID 78022429
(1S)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 78951056
N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43213873
(1R)-N-[[5-(4-nitrophenyl)thiophen-2-yl]methyl]-1-phenylethanamine
CID 124690099
N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine
CID 4715520
N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine
CID 81494858
2-methyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-3-amine
CID 55191795
(1S)-N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine
CID 81499028
N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
CID 43179335
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
CID 28564868
3-ethyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-2-amine
CID 63843620

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 1-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine (CID 43222571) is 1-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 1-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine is CC(NCc1ccc(-c2ccccc2)s1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine?
The InChIKey is WHHUHSZFFVQBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NS/c1-15(16-8-4-2-5-9-16)20-14-18-12-13-19(21-18)17-10-6-3-7-11-17/h2-13,15,20H,14H2,1H3.
What are the key properties of 1-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine?
1-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine has a molecular weight of 293.44 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43222571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).