N-[(2,4-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine

C17H23NOS — CID 81127179

IUPACN-[(2,4-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(OC)cs1)c1ccc(C)cc1C
InChIInChI=1S/C17H23NOS/c1-5-8-18-17(16-10-14(19-4)11-20-16)15-7-6-12(2)9-13(15)3/h6-7,9-11,17-18H,5,8H2,1-4H3
InChIKeyZXKWIQGJYHWDJP-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.46
Rot. Bonds6

About N-[(2,4-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine

N-[(2,4-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine (PubChem CID 81127179) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
PubChem CID81127179
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-[(2,4-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(OC)cs1)c1ccc(C)cc1C
InChIInChI=1S/C17H23NOS/c1-5-8-18-17(16-10-14(19-4)11-20-16)15-7-6-12(2)9-13(15)3/h6-7,9-11,17-18H,5,8H2,1-4H3
InChIKeyZXKWIQGJYHWDJP-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-[2-(2,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 81122534
N-[(2,4-dimethylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 43494187
N-[(2,4-dimethylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991554
N-[(2,4-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 79801999
N-[(4-bromo-2,5-difluorophenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81122126
N-[(5-bromothiophen-2-yl)-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 43495485
N-[(4-methoxythiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 81126979
2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-4-methoxythiophene
CID 81129061
N-[(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 81127102
N-[(2,4-dimethylphenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
CID 103374840
N-[(3-chloro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81121964
N-[(5-iodothiophen-3-yl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 79693925

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,4-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine (CID 81127179) is N-[(2,4-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,4-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine is CCCNC(c1cc(OC)cs1)c1ccc(C)cc1C.
What is the InChIKey of N-[(2,4-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine?
The InChIKey is ZXKWIQGJYHWDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-5-8-18-17(16-10-14(19-4)11-20-16)15-7-6-12(2)9-13(15)3/h6-7,9-11,17-18H,5,8H2,1-4H3.
What are the key properties of N-[(2,4-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine?
N-[(2,4-dimethylphenyl)-(4-methoxythiophen-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-[(2,4-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 81127179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).