N-[(3-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine

C16H21NOS — CID 102831680

IUPACN-[(3-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OC)c1)c1ccsc1C
InChIInChI=1S/C16H21NOS/c1-4-9-17-16(15-8-10-19-12(15)2)13-6-5-7-14(11-13)18-3/h5-8,10-11,16-17H,4,9H2,1-3H3
InChIKeyPPIASVAMAOCNER-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.15
Rot. Bonds6

About N-[(3-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine

N-[(3-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine (PubChem CID 102831680) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
PubChem CID102831680
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-[(3-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OC)c1)c1ccsc1C
InChIInChI=1S/C16H21NOS/c1-4-9-17-16(15-8-10-19-12(15)2)13-6-5-7-14(11-13)18-3/h5-8,10-11,16-17H,4,9H2,1-3H3
InChIKeyPPIASVAMAOCNER-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102842607
N-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332776
N-[(3-methoxyphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 66272903
N-[(2-fluorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 62501795
N-[(2-fluoro-4-methylphenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 115785590
N-[(3,6-dimethylpyridazin-4-yl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 105086625
N-[(2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102831663
N-[(4-bromo-3,5-dimethylphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102834065
N-[(4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 43494797
N-[(2,6-dichlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 115785453
N-[(2-bromo-4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 107991862
N-[(3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 55007060

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine (CID 102831680) is N-[(3-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine is CCCNC(c1cccc(OC)c1)c1ccsc1C.
What is the InChIKey of N-[(3-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine?
The InChIKey is PPIASVAMAOCNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-4-9-17-16(15-8-10-19-12(15)2)13-6-5-7-14(11-13)18-3/h5-8,10-11,16-17H,4,9H2,1-3H3.
What are the key properties of N-[(3-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine?
N-[(3-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 102831680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).