(3-ethylthiophen-2-yl)-(4-phenylphenyl)methanamine

C19H19NS — CID 79972493

IUPAC(3-ethylthiophen-2-yl)-(4-phenylphenyl)methanamine
SMILESCCc1ccsc1C(N)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19NS/c1-2-14-12-13-21-19(14)18(20)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-13,18H,2,20H2,1H3
InChIKeyJTUQEBAEXKEDRX-UHFFFAOYSA-N
MW293.44 g/mol
LogP5.03
Rot. Bonds4

About (3-ethylthiophen-2-yl)-(4-phenylphenyl)methanamine

(3-ethylthiophen-2-yl)-(4-phenylphenyl)methanamine (PubChem CID 79972493) has the molecular formula C19H19NS and a molecular weight of 293.44 g/mol. Its IUPAC name is (3-ethylthiophen-2-yl)-(4-phenylphenyl)methanamine.

Molecular Properties

Compound Name(3-ethylthiophen-2-yl)-(4-phenylphenyl)methanamine
PubChem CID79972493
Molecular FormulaC19H19NS
Molecular Weight293.44 g/mol
Exact Mass293.12
IUPAC Name(3-ethylthiophen-2-yl)-(4-phenylphenyl)methanamine
SMILESCCc1ccsc1C(N)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19NS/c1-2-14-12-13-21-19(14)18(20)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-13,18H,2,20H2,1H3
InChIKeyJTUQEBAEXKEDRX-UHFFFAOYSA-N
XLogP5.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.44
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-ethylthiophen-2-yl)-(4-phenylphenyl)methanamine?
The IUPAC name of (3-ethylthiophen-2-yl)-(4-phenylphenyl)methanamine (CID 79972493) is (3-ethylthiophen-2-yl)-(4-phenylphenyl)methanamine.
What is the SMILES notation for (3-ethylthiophen-2-yl)-(4-phenylphenyl)methanamine?
The canonical SMILES for (3-ethylthiophen-2-yl)-(4-phenylphenyl)methanamine is CCc1ccsc1C(N)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (3-ethylthiophen-2-yl)-(4-phenylphenyl)methanamine?
The InChIKey is JTUQEBAEXKEDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NS/c1-2-14-12-13-21-19(14)18(20)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-13,18H,2,20H2,1H3.
What are the key properties of (3-ethylthiophen-2-yl)-(4-phenylphenyl)methanamine?
(3-ethylthiophen-2-yl)-(4-phenylphenyl)methanamine has a molecular weight of 293.44 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylthiophen-2-yl)-(4-phenylphenyl)methanamine is sourced from PubChem (CID 79972493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).