1-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine

C14H17NS — CID 79991084

IUPAC1-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine
SMILESCc1cccc(C(C)(N)c2sccc2C)c1
InChIInChI=1S/C14H17NS/c1-10-5-4-6-12(9-10)14(3,15)13-11(2)7-8-16-13/h4-9H,15H2,1-3H3
InChIKeyOIZZLHLDTBAFFP-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.59
Rot. Bonds2

About 1-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine

1-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 79991084) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 1-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID79991084
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name1-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine
SMILESCc1cccc(C(C)(N)c2sccc2C)c1
InChIInChI=1S/C14H17NS/c1-10-5-4-6-12(9-10)14(3,15)13-11(2)7-8-16-13/h4-9H,15H2,1-3H3
InChIKeyOIZZLHLDTBAFFP-UHFFFAOYSA-N
XLogP3.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)ethane-1,1-diamine
CID 70165024
1-(5-fluoro-2-methylphenyl)-1-(3-methylphenyl)ethanamine
CID 62788866
1-(3-methylthiophen-2-yl)-1-phenylethanol
CID 63991510
1-(2-chlorophenyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 79991406
1,1-difluoro-2-methyl-1-(3-methylphenyl)propan-2-amine
CID 105452057
1-(3-methylthiophen-2-yl)-1-phenylpropan-1-amine
CID 79992050
1-(4-bromothiophen-3-yl)-1-(3-methylphenyl)ethanamine
CID 79595390
1-(2,5-dimethylphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 63990708
1-(4-ethoxyphenyl)-1-(3-methylphenyl)ethanamine
CID 55116130
(2S)-2-(3-methylthiophen-2-yl)butan-2-amine
CID 130055008
2,2-diamino-2-(3-methylphenyl)ethanol
CID 174833042
2-methyl-2-(3-methylphenyl)propan-1-amine
CID 47002400

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of 1-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine (CID 79991084) is 1-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 1-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 1-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine is Cc1cccc(C(C)(N)c2sccc2C)c1.
What is the InChIKey of 1-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is OIZZLHLDTBAFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-10-5-4-6-12(9-10)14(3,15)13-11(2)7-8-16-13/h4-9H,15H2,1-3H3.
What are the key properties of 1-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine?
1-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 231.36 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 79991084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).