(3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanamine

C14H17NS — CID 79802611

IUPAC(3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanamine
SMILESCc1ccc(C(N)c2cscc2C)cc1C
InChIInChI=1S/C14H17NS/c1-9-4-5-12(6-10(9)2)14(15)13-8-16-7-11(13)3/h4-8,14H,15H2,1-3H3
InChIKeyLLOOLVPOEJSJFM-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.72
Rot. Bonds2

About (3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanamine

(3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanamine (PubChem CID 79802611) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanamine
PubChem CID79802611
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name(3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanamine
SMILESCc1ccc(C(N)c2cscc2C)cc1C
InChIInChI=1S/C14H17NS/c1-9-4-5-12(6-10(9)2)14(15)13-8-16-7-11(13)3/h4-8,14H,15H2,1-3H3
InChIKeyLLOOLVPOEJSJFM-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanol
CID 79808123
1-(3,4-dimethylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 79802800
(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanamine
CID 43149160
[4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methanamine
CID 79803069
(3,4-dimethylphenyl)-(3,5-dimethylphenyl)methanamine
CID 43149143
6-[amino-(4-methylthiophen-3-yl)methyl]-4H-1,4-benzoxazin-3-one
CID 79802167
(2,5-difluorophenyl)-(4-methylthiophen-3-yl)methanamine
CID 79802254
(3,4-dimethylphenyl)-naphthalen-1-ylmethanamine
CID 43149180
(2,5-dichlorophenyl)-(4-methylthiophen-3-yl)methanamine
CID 79802256
(4-methylthiophen-3-yl)-(5-methylthiophen-2-yl)methanamine
CID 79802346
(1R)-1-(3,4-dimethylphenyl)ethanamine
CID 7022091
(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanamine
CID 65440107

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanamine?
The IUPAC name of (3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanamine (CID 79802611) is (3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanamine.
What is the SMILES notation for (3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanamine?
The canonical SMILES for (3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanamine is Cc1ccc(C(N)c2cscc2C)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanamine?
The InChIKey is LLOOLVPOEJSJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-9-4-5-12(6-10(9)2)14(15)13-8-16-7-11(13)3/h4-8,14H,15H2,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanamine?
(3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanamine has a molecular weight of 231.36 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 79802611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).