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

C16H21NOS — CID 102831663

IUPACN-[(2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1OC)c1ccsc1C
InChIInChI=1S/C16H21NOS/c1-4-10-17-16(13-9-11-19-12(13)2)14-7-5-6-8-15(14)18-3/h5-9,11,16-17H,4,10H2,1-3H3
InChIKeyNUBUQMAPHBMIGT-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.15
Rot. Bonds6

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

N-[(2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine (PubChem CID 102831663) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
PubChem CID102831663
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-[(2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1OC)c1ccsc1C
InChIInChI=1S/C16H21NOS/c1-4-10-17-16(13-9-11-19-12(13)2)14-7-5-6-8-15(14)18-3/h5-9,11,16-17H,4,10H2,1-3H3
InChIKeyNUBUQMAPHBMIGT-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

N-[(5-chloro-2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102840443
N-[(2-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61330443
N-[(2-chloro-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102841296
N-[(3-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102831680
N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115793334
N-[(2,5-difluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102832497
N-[(5-bromo-2-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792512
N-[(2-fluoro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 62790493
N-[(2-methylthiophen-3-yl)-quinoxalin-2-ylmethyl]propan-1-amine
CID 107357477
N-[2,2-dimethoxy-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 79493375
N-[(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 106645250
N-[(2-chloro-5-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 105394631

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine (CID 102831663) is N-[(2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine is CCCNC(c1ccccc1OC)c1ccsc1C.
What is the InChIKey of N-[(2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine?
The InChIKey is NUBUQMAPHBMIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-4-10-17-16(13-9-11-19-12(13)2)14-7-5-6-8-15(14)18-3/h5-9,11,16-17H,4,10H2,1-3H3.
What are the key properties of N-[(2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine?
N-[(2-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-[(2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 102831663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).