N-[(5-phenylthiophen-2-yl)methyl]aniline

C17H15NS — CID 43756087

IUPACN-[(5-phenylthiophen-2-yl)methyl]aniline
SMILESc1ccc(NCc2ccc(-c3ccccc3)s2)cc1
InChIInChI=1S/C17H15NS/c1-3-7-14(8-4-1)17-12-11-16(19-17)13-18-15-9-5-2-6-10-15/h1-12,18H,13H2
InChIKeyCEBGOGWSKACNMS-UHFFFAOYSA-N
MW265.38 g/mol
LogP5.03
Rot. Bonds4

About N-[(5-phenylthiophen-2-yl)methyl]aniline

N-[(5-phenylthiophen-2-yl)methyl]aniline (PubChem CID 43756087) has the molecular formula C17H15NS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[(5-phenylthiophen-2-yl)methyl]aniline.

Molecular Properties

Compound NameN-[(5-phenylthiophen-2-yl)methyl]aniline
PubChem CID43756087
Molecular FormulaC17H15NS
Molecular Weight265.38 g/mol
Exact Mass265.09
IUPAC NameN-[(5-phenylthiophen-2-yl)methyl]aniline
SMILESc1ccc(NCc2ccc(-c3ccccc3)s2)cc1
InChIInChI=1S/C17H15NS/c1-3-7-14(8-4-1)17-12-11-16(19-17)13-18-15-9-5-2-6-10-15/h1-12,18H,13H2
InChIKeyCEBGOGWSKACNMS-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.38
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-phenylthiophen-2-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-[(5-phenylthiophen-2-yl)methyl]benzene-1,3-diamine
CID 91804343
2-methyl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43434173
2-iodo-N-[(5-phenylthiophen-2-yl)methyl]aniline
CID 43773459
3-chloro-4-methyl-N-[(5-phenylthiophen-2-yl)methyl]aniline
CID 43757389
6-methoxy-N-[(5-phenylthiophen-2-yl)methyl]pyridin-3-amine
CID 43755833
N-[(5-tert-butylthiophen-2-yl)methyl]aniline
CID 58624276
N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43213873
5-methyl-N-[(5-phenylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103934155
2-fluoro-4-methyl-N-[(5-phenylthiophen-2-yl)methyl]aniline
CID 43772282
2-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 43222657
(5-phenylthiophen-2-yl)methanamine
CID 11993875
4-chloro-2-methyl-N-[(5-phenylthiophen-2-yl)methyl]aniline
CID 43766545

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenylthiophen-2-yl)methyl]aniline?
The IUPAC name of N-[(5-phenylthiophen-2-yl)methyl]aniline (CID 43756087) is N-[(5-phenylthiophen-2-yl)methyl]aniline.
What is the SMILES notation for N-[(5-phenylthiophen-2-yl)methyl]aniline?
The canonical SMILES for N-[(5-phenylthiophen-2-yl)methyl]aniline is c1ccc(NCc2ccc(-c3ccccc3)s2)cc1.
What is the InChIKey of N-[(5-phenylthiophen-2-yl)methyl]aniline?
The InChIKey is CEBGOGWSKACNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NS/c1-3-7-14(8-4-1)17-12-11-16(19-17)13-18-15-9-5-2-6-10-15/h1-12,18H,13H2.
What are the key properties of N-[(5-phenylthiophen-2-yl)methyl]aniline?
N-[(5-phenylthiophen-2-yl)methyl]aniline has a molecular weight of 265.38 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 N-[(5-phenylthiophen-2-yl)methyl]aniline is sourced from PubChem (CID 43756087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).