1-[4-[(2-methoxy-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine

C16H21NO2S — CID 80729265

IUPAC1-[4-[(2-methoxy-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(COc2ccc(C)cc2OC)c(C)s1
InChIInChI=1S/C16H21NO2S/c1-11-5-6-15(16(7-11)18-4)19-10-13-8-14(9-17-3)20-12(13)2/h5-8,17H,9-10H2,1-4H3
InChIKeyHFDIQKORPMXJMO-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.67
Rot. Bonds6

About 1-[4-[(2-methoxy-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine

1-[4-[(2-methoxy-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine (PubChem CID 80729265) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-[4-[(2-methoxy-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(2-methoxy-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
PubChem CID80729265
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name1-[4-[(2-methoxy-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(COc2ccc(C)cc2OC)c(C)s1
InChIInChI=1S/C16H21NO2S/c1-11-5-6-15(16(7-11)18-4)19-10-13-8-14(9-17-3)20-12(13)2/h5-8,17H,9-10H2,1-4H3
InChIKeyHFDIQKORPMXJMO-UHFFFAOYSA-N
XLogP3.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2,4-dichlorophenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80729282
1-[4-[(4-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80728605
1-[3-[(2-methoxy-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 55077971
N-[[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methyl]ethanamine
CID 80729822
N-methyl-1-[5-methyl-4-[(2-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine
CID 80734222
1-[4-[(4-bromophenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80728966
2-[2-[(2-methoxy-4-methylphenoxy)methyl]phenyl]-N-methylethanamine
CID 115464699
N-[[5-methyl-4-[(4-methylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 80728494
4-fluoro-2-[(2-methoxy-4-methylphenoxy)methyl]benzonitrile
CID 103759966
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17293869
N-[[2-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62450301
[4-[(2,6-dimethoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80728963

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methoxy-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(2-methoxy-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine (CID 80729265) is 1-[4-[(2-methoxy-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(2-methoxy-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(2-methoxy-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine is CNCc1cc(COc2ccc(C)cc2OC)c(C)s1.
What is the InChIKey of 1-[4-[(2-methoxy-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine?
The InChIKey is HFDIQKORPMXJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-11-5-6-15(16(7-11)18-4)19-10-13-8-14(9-17-3)20-12(13)2/h5-8,17H,9-10H2,1-4H3.
What are the key properties of 1-[4-[(2-methoxy-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine?
1-[4-[(2-methoxy-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine has a molecular weight of 291.42 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methoxy-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 80729265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).