N-[(2-methoxy-4-methylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine

C17H23NOS — CID 106792489

IUPACN-[(2-methoxy-4-methylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1OC)c1sccc1C
InChIInChI=1S/C17H23NOS/c1-5-9-18-16(17-13(3)8-10-20-17)14-7-6-12(2)11-15(14)19-4/h6-8,10-11,16,18H,5,9H2,1-4H3
InChIKeyAQCDYWXQUQRLSL-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.46
Rot. Bonds6

About N-[(2-methoxy-4-methylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine

N-[(2-methoxy-4-methylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 106792489) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[(2-methoxy-4-methylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methoxy-4-methylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
PubChem CID106792489
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-[(2-methoxy-4-methylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1OC)c1sccc1C
InChIInChI=1S/C17H23NOS/c1-5-9-18-16(17-13(3)8-10-20-17)14-7-6-12(2)11-15(14)19-4/h6-8,10-11,16,18H,5,9H2,1-4H3
InChIKeyAQCDYWXQUQRLSL-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluoro-3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 81283095
N-[(4-bromo-2-methylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 55195885
N-[(3-chlorothiophen-2-yl)-(4-methoxy-2,5-dimethylphenyl)methyl]propan-1-amine
CID 105032918
N-[(5-bromo-2-methoxy-4-methylphenyl)-(3-chlorothiophen-2-yl)methyl]propan-1-amine
CID 80644169
N-[(4-methoxy-2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 105032743
N-[(3-bromothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106682117
N-[(6-methoxypyridazin-3-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 103374682
1-(2-methoxy-4-methylphenyl)-N-propylprop-2-yn-1-amine
CID 106792543
N-[(2-methoxy-5-methylphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 81127182
N-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495885
N-[(4-bromo-3,5-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 114330849
N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 106883539

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-methylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-methoxy-4-methylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine (CID 106792489) is N-[(2-methoxy-4-methylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-methoxy-4-methylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-methoxy-4-methylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(C)cc1OC)c1sccc1C.
What is the InChIKey of N-[(2-methoxy-4-methylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is AQCDYWXQUQRLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-5-9-18-16(17-13(3)8-10-20-17)14-7-6-12(2)11-15(14)19-4/h6-8,10-11,16,18H,5,9H2,1-4H3.
What are the key properties of N-[(2-methoxy-4-methylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
N-[(2-methoxy-4-methylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 289.44 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-methylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 106792489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).