N-[(4-phenylphenyl)methyl]-2-thiophen-3-ylethanamine

C19H19NS — CID 63455136

IUPACN-[(4-phenylphenyl)methyl]-2-thiophen-3-ylethanamine
SMILESc1ccc(-c2ccc(CNCCc3ccsc3)cc2)cc1
InChIInChI=1S/C19H19NS/c1-2-4-18(5-3-1)19-8-6-16(7-9-19)14-20-12-10-17-11-13-21-15-17/h1-9,11,13,15,20H,10,12,14H2
InChIKeyMUHQDWGOVRHQNA-UHFFFAOYSA-N
MW293.44 g/mol
LogP4.75
Rot. Bonds6

About N-[(4-phenylphenyl)methyl]-2-thiophen-3-ylethanamine

N-[(4-phenylphenyl)methyl]-2-thiophen-3-ylethanamine (PubChem CID 63455136) has the molecular formula C19H19NS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-[(4-phenylphenyl)methyl]-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[(4-phenylphenyl)methyl]-2-thiophen-3-ylethanamine
PubChem CID63455136
Molecular FormulaC19H19NS
Molecular Weight293.44 g/mol
Exact Mass293.12
IUPAC NameN-[(4-phenylphenyl)methyl]-2-thiophen-3-ylethanamine
SMILESc1ccc(-c2ccc(CNCCc3ccsc3)cc2)cc1
InChIInChI=1S/C19H19NS/c1-2-4-18(5-3-1)19-8-6-16(7-9-19)14-20-12-10-17-11-13-21-15-17/h1-9,11,13,15,20H,10,12,14H2
InChIKeyMUHQDWGOVRHQNA-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(4-phenylphenyl)methyl]butane-1,4-diamine
CID 10273675
methyl 4-[(2-thiophen-3-ylethylamino)methyl]benzoate
CID 60976725
N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-3-ylethanamine
CID 62132424
4-phenyl-N-(thiophen-3-ylmethyl)aniline
CID 43716853
N-[[3-(difluoromethyl)phenyl]methyl]-2-thiophen-3-ylethanamine
CID 115526406
N-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine
CID 60752325
N-benzhydryl-2-thiophen-3-ylethanamine
CID 61474886
1-[(2-thiophen-3-ylethylamino)methyl]naphthalen-2-ol
CID 61475104
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-3-ylethanamine
CID 60976262
N-[2-[(2-thiophen-3-ylethylamino)methyl]phenyl]acetamide
CID 66417096
2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine
CID 61474890
2-phenyl-3-(2-thiophen-3-ylethylamino)propanoic acid
CID 64561326

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylphenyl)methyl]-2-thiophen-3-ylethanamine?
The IUPAC name of N-[(4-phenylphenyl)methyl]-2-thiophen-3-ylethanamine (CID 63455136) is N-[(4-phenylphenyl)methyl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[(4-phenylphenyl)methyl]-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[(4-phenylphenyl)methyl]-2-thiophen-3-ylethanamine is c1ccc(-c2ccc(CNCCc3ccsc3)cc2)cc1.
What is the InChIKey of N-[(4-phenylphenyl)methyl]-2-thiophen-3-ylethanamine?
The InChIKey is MUHQDWGOVRHQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NS/c1-2-4-18(5-3-1)19-8-6-16(7-9-19)14-20-12-10-17-11-13-21-15-17/h1-9,11,13,15,20H,10,12,14H2.
What are the key properties of N-[(4-phenylphenyl)methyl]-2-thiophen-3-ylethanamine?
N-[(4-phenylphenyl)methyl]-2-thiophen-3-ylethanamine has a molecular weight of 293.44 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylphenyl)methyl]-2-thiophen-3-ylethanamine is sourced from PubChem (CID 63455136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).