(3-methylphenyl)-thiophen-3-ylmethanamine

C12H13NS — CID 60819503

IUPAC(3-methylphenyl)-thiophen-3-ylmethanamine
SMILESCc1cccc(C(N)c2ccsc2)c1
InChIInChI=1S/C12H13NS/c1-9-3-2-4-10(7-9)12(13)11-5-6-14-8-11/h2-8,12H,13H2,1H3
InChIKeyUTDHKIFLOLFHOJ-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.10
Rot. Bonds2

About (3-methylphenyl)-thiophen-3-ylmethanamine

(3-methylphenyl)-thiophen-3-ylmethanamine (PubChem CID 60819503) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is (3-methylphenyl)-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(3-methylphenyl)-thiophen-3-ylmethanamine
PubChem CID60819503
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name(3-methylphenyl)-thiophen-3-ylmethanamine
SMILESCc1cccc(C(N)c2ccsc2)c1
InChIInChI=1S/C12H13NS/c1-9-3-2-4-10(7-9)12(13)11-5-6-14-8-11/h2-8,12H,13H2,1H3
InChIKeyUTDHKIFLOLFHOJ-UHFFFAOYSA-N
XLogP3.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(R)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171218066
3-[(S)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171198549
(S)-(3-bromophenyl)-thiophen-3-ylmethanamine
CID 171199224
(3-fluorophenyl)-thiophen-3-ylmethanamine
CID 60819674
(R)-(3-chlorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171219113
(R)-(3-bromophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171218747
(S)-(3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171199158
(3-propylphenyl)-thiophen-3-ylmethanamine
CID 116543884
(R)-(2,4-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171232778
(R)-(3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171229492
(S)-(2-bromo-4-methylphenyl)-thiophen-3-ylmethanamine
CID 171221689
2-[(S)-amino(thiophen-3-yl)methyl]-4-methylphenol
CID 171202323

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-thiophen-3-ylmethanamine?
The IUPAC name of (3-methylphenyl)-thiophen-3-ylmethanamine (CID 60819503) is (3-methylphenyl)-thiophen-3-ylmethanamine.
What is the SMILES notation for (3-methylphenyl)-thiophen-3-ylmethanamine?
The canonical SMILES for (3-methylphenyl)-thiophen-3-ylmethanamine is Cc1cccc(C(N)c2ccsc2)c1.
What is the InChIKey of (3-methylphenyl)-thiophen-3-ylmethanamine?
The InChIKey is UTDHKIFLOLFHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-9-3-2-4-10(7-9)12(13)11-5-6-14-8-11/h2-8,12H,13H2,1H3.
What are the key properties of (3-methylphenyl)-thiophen-3-ylmethanamine?
(3-methylphenyl)-thiophen-3-ylmethanamine has a molecular weight of 203.31 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-thiophen-3-ylmethanamine is sourced from PubChem (CID 60819503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).