[3-(5-benzylthiophen-2-yl)phenyl]methanamine

C18H17NS — CID 162008668

IUPAC[3-(5-benzylthiophen-2-yl)phenyl]methanamine
SMILESNCc1cccc(-c2ccc(Cc3ccccc3)s2)c1
InChIInChI=1S/C18H17NS/c19-13-15-7-4-8-16(11-15)18-10-9-17(20-18)12-14-5-2-1-3-6-14/h1-11H,12-13,19H2
InChIKeyNFJYDRYNVPMGNP-UHFFFAOYSA-N
MW279.41 g/mol
LogP4.46
Rot. Bonds4

About [3-(5-benzylthiophen-2-yl)phenyl]methanamine

[3-(5-benzylthiophen-2-yl)phenyl]methanamine (PubChem CID 162008668) has the molecular formula C18H17NS and a molecular weight of 279.41 g/mol. Its IUPAC name is [3-(5-benzylthiophen-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(5-benzylthiophen-2-yl)phenyl]methanamine
PubChem CID162008668
Molecular FormulaC18H17NS
Molecular Weight279.41 g/mol
Exact Mass279.11
IUPAC Name[3-(5-benzylthiophen-2-yl)phenyl]methanamine
SMILESNCc1cccc(-c2ccc(Cc3ccccc3)s2)c1
InChIInChI=1S/C18H17NS/c19-13-15-7-4-8-16(11-15)18-10-9-17(20-18)12-14-5-2-1-3-6-14/h1-11H,12-13,19H2
InChIKeyNFJYDRYNVPMGNP-UHFFFAOYSA-N
XLogP4.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(5-benzylthiophen-2-yl)phenyl]methanamine;5-bromo-2-methylbenzene-1,3-dicarboxylic acid
CID 162008667
(5-phenylthiophen-2-yl)methanamine
CID 11993875
2-phenyl-5-[[4-(trifluoromethyl)phenyl]methyl]thiophene
CID 151107275
2-phenyl-5-(3-phenylpropyl)thiophene
CID 15666584
phenylmethanamine
CID 19864074
[3-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152526
[3-(4-methylphenyl)phenyl]methanamine
CID 1392243
phenylmethanamine;dodecahydrobromide
CID 175510511
phenylmethanamine;titanium(2+)
CID 21287655
phenylmethanamine;trihydrobromide
CID 175177372
sodium phenylmethanamine
CID 172793696
[5-(3-methylsulfonylphenyl)thiophen-2-yl]methanamine
CID 159006983

Frequently Asked Questions

What is the IUPAC name of [3-(5-benzylthiophen-2-yl)phenyl]methanamine?
The IUPAC name of [3-(5-benzylthiophen-2-yl)phenyl]methanamine (CID 162008668) is [3-(5-benzylthiophen-2-yl)phenyl]methanamine.
What is the SMILES notation for [3-(5-benzylthiophen-2-yl)phenyl]methanamine?
The canonical SMILES for [3-(5-benzylthiophen-2-yl)phenyl]methanamine is NCc1cccc(-c2ccc(Cc3ccccc3)s2)c1.
What is the InChIKey of [3-(5-benzylthiophen-2-yl)phenyl]methanamine?
The InChIKey is NFJYDRYNVPMGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NS/c19-13-15-7-4-8-16(11-15)18-10-9-17(20-18)12-14-5-2-1-3-6-14/h1-11H,12-13,19H2.
What are the key properties of [3-(5-benzylthiophen-2-yl)phenyl]methanamine?
[3-(5-benzylthiophen-2-yl)phenyl]methanamine has a molecular weight of 279.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-benzylthiophen-2-yl)phenyl]methanamine is sourced from PubChem (CID 162008668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).