N-[(2,6-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine

C17H23NO2S — CID 116810640

IUPACN-[(2,6-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cscc1C)c1c(OC)cccc1OC
InChIInChI=1S/C17H23NO2S/c1-5-9-18-17(13-11-21-10-12(13)2)16-14(19-3)7-6-8-15(16)20-4/h6-8,10-11,17-18H,5,9H2,1-4H3
InChIKeyOVMXERMEKYCBOP-UHFFFAOYSA-N
MW305.44 g/mol
LogP4.16
Rot. Bonds7

About N-[(2,6-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine

N-[(2,6-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine (PubChem CID 116810640) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[(2,6-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,6-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
PubChem CID116810640
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC NameN-[(2,6-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cscc1C)c1c(OC)cccc1OC
InChIInChI=1S/C17H23NO2S/c1-5-9-18-17(13-11-21-10-12(13)2)16-14(19-3)7-6-8-15(16)20-4/h6-8,10-11,17-18H,5,9H2,1-4H3
InChIKeyOVMXERMEKYCBOP-UHFFFAOYSA-N
XLogP4.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 79809112
N-[(2,4-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 79801999
N-[(2-methoxy-4,6-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine
CID 106680796
N-[[4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 79810445
N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115793334
N-[(5-chlorofuran-2-yl)-(2,6-dimethoxyphenyl)methyl]propan-1-amine
CID 106693326
N-[(2,6-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105188741
N-[1-(2,6-dimethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 116810465
N-[(2-fluoro-3-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 82808330
N-[(5-chloro-4-methylthiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methyl]propan-1-amine
CID 102764094
N-[(2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102831663
N-[(3-bromo-4-methoxyphenyl)-(4-bromothiophen-3-yl)methyl]propan-1-amine
CID 105010525

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,6-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine (CID 116810640) is N-[(2,6-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,6-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,6-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine is CCCNC(c1cscc1C)c1c(OC)cccc1OC.
What is the InChIKey of N-[(2,6-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine?
The InChIKey is OVMXERMEKYCBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-5-9-18-17(13-11-21-10-12(13)2)16-14(19-3)7-6-8-15(16)20-4/h6-8,10-11,17-18H,5,9H2,1-4H3.
What are the key properties of N-[(2,6-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine?
N-[(2,6-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine has a molecular weight of 305.44 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 116810640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).