[4-(2-methoxy-4,5-dimethylphenyl)thiophen-3-yl]methanamine

C14H17NOS — CID 82479970

IUPAC[4-(2-methoxy-4,5-dimethylphenyl)thiophen-3-yl]methanamine
SMILESCOc1cc(C)c(C)cc1-c1cscc1CN
InChIInChI=1S/C14H17NOS/c1-9-4-12(14(16-3)5-10(9)2)13-8-17-7-11(13)6-15/h4-5,7-8H,6,15H2,1-3H3
InChIKeyIDSACZQACSSACW-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.50
Rot. Bonds3

About [4-(2-methoxy-4,5-dimethylphenyl)thiophen-3-yl]methanamine

[4-(2-methoxy-4,5-dimethylphenyl)thiophen-3-yl]methanamine (PubChem CID 82479970) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is [4-(2-methoxy-4,5-dimethylphenyl)thiophen-3-yl]methanamine.

Molecular Properties

Compound Name[4-(2-methoxy-4,5-dimethylphenyl)thiophen-3-yl]methanamine
PubChem CID82479970
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name[4-(2-methoxy-4,5-dimethylphenyl)thiophen-3-yl]methanamine
SMILESCOc1cc(C)c(C)cc1-c1cscc1CN
InChIInChI=1S/C14H17NOS/c1-9-4-12(14(16-3)5-10(9)2)13-8-17-7-11(13)6-15/h4-5,7-8H,6,15H2,1-3H3
InChIKeyIDSACZQACSSACW-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)thiophen-3-yl]methanamine
CID 98019630
[4-(3,4-dimethoxyphenyl)thiophen-3-yl]methanamine
CID 82480620
[4-(methoxymethyl)thiophen-3-yl]methanamine
CID 82415876
acetic acid;(4-methoxythiophen-3-yl)methanamine
CID 162342941
(5-chloro-4-methoxy-2-methylphenyl)methanamine
CID 82281020
[5-(2-methoxy-4,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
CID 82086154
O-[(2-methoxy-4,5-dimethylphenyl)methyl]hydroxylamine
CID 83482464
2-(aminomethyl)-4-methoxy-5-methylphenol
CID 67518615
(2-chloro-4-methoxy-5-methylphenyl)methanamine
CID 57458151
4,7,11,15,19,23,27,31,35,39,43,45,47,49,51,53,55,57,59,61,63,66-docosamethoxydodecacyclo[40.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41]hexahexaconta-1(44),2,4,6(64),7,9(63),10(62),11,13(61),14(60),15,17(59),18(58),19,21(57),22(56),23,25(55),26,28,30,32,34,36,38,40,42,45,47,49,51,53,65-tritriacontaene
CID 177477117
[5-(2-chloro-4,5-dimethylphenyl)-2-methoxyphenyl]methanamine
CID 115484396
(3-methoxy-2,5-dimethylphenyl)methanamine
CID 119023643

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxy-4,5-dimethylphenyl)thiophen-3-yl]methanamine?
The IUPAC name of [4-(2-methoxy-4,5-dimethylphenyl)thiophen-3-yl]methanamine (CID 82479970) is [4-(2-methoxy-4,5-dimethylphenyl)thiophen-3-yl]methanamine.
What is the SMILES notation for [4-(2-methoxy-4,5-dimethylphenyl)thiophen-3-yl]methanamine?
The canonical SMILES for [4-(2-methoxy-4,5-dimethylphenyl)thiophen-3-yl]methanamine is COc1cc(C)c(C)cc1-c1cscc1CN.
What is the InChIKey of [4-(2-methoxy-4,5-dimethylphenyl)thiophen-3-yl]methanamine?
The InChIKey is IDSACZQACSSACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-9-4-12(14(16-3)5-10(9)2)13-8-17-7-11(13)6-15/h4-5,7-8H,6,15H2,1-3H3.
What are the key properties of [4-(2-methoxy-4,5-dimethylphenyl)thiophen-3-yl]methanamine?
[4-(2-methoxy-4,5-dimethylphenyl)thiophen-3-yl]methanamine has a molecular weight of 247.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxy-4,5-dimethylphenyl)thiophen-3-yl]methanamine is sourced from PubChem (CID 82479970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).