N-methyl-1-[5-methyl-4-[(2-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine

C14H18N2OS — CID 80734222

IUPACN-methyl-1-[5-methyl-4-[(2-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine
SMILESCNCc1cc(COc2cccnc2C)c(C)s1
InChIInChI=1S/C14H18N2OS/c1-10-14(5-4-6-16-10)17-9-12-7-13(8-15-3)18-11(12)2/h4-7,15H,8-9H2,1-3H3
InChIKeyQWHFTUVMMDTSME-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.06
Rot. Bonds5

About N-methyl-1-[5-methyl-4-[(2-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine

N-methyl-1-[5-methyl-4-[(2-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine (PubChem CID 80734222) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-4-[(2-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-4-[(2-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine
PubChem CID80734222
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-methyl-1-[5-methyl-4-[(2-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine
SMILESCNCc1cc(COc2cccnc2C)c(C)s1
InChIInChI=1S/C14H18N2OS/c1-10-14(5-4-6-16-10)17-9-12-7-13(8-15-3)18-11(12)2/h4-7,15H,8-9H2,1-3H3
InChIKeyQWHFTUVMMDTSME-UHFFFAOYSA-N
XLogP3.06
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.06
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-[(2-methoxy-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80729265
1-[4-[(4-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80728605
1-[4-[(4-bromophenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80728966
N-[[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methyl]ethanamine
CID 80729822
N-[[5-methyl-4-(pyridin-3-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 80728873
N-[[4-[(2,4-difluorophenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80720128
N-[[4-[(3-chloro-2-fluorophenoxy)methyl]-5-methylthiophen-2-yl]methyl]ethanamine
CID 116690376
N-[[5-methyl-4-[(2-prop-2-enylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 80721945
N-[[4-[(2-fluoro-3-methylphenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 107661295
[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80729570
N-[[4-fluoro-3-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]methyl]ethanamine
CID 107457828

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-4-[(2-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-4-[(2-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine (CID 80734222) is N-methyl-1-[5-methyl-4-[(2-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-4-[(2-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-4-[(2-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine is CNCc1cc(COc2cccnc2C)c(C)s1.
What is the InChIKey of N-methyl-1-[5-methyl-4-[(2-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine?
The InChIKey is QWHFTUVMMDTSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10-14(5-4-6-16-10)17-9-12-7-13(8-15-3)18-11(12)2/h4-7,15H,8-9H2,1-3H3.
What are the key properties of N-methyl-1-[5-methyl-4-[(2-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine?
N-methyl-1-[5-methyl-4-[(2-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine has a molecular weight of 262.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-4-[(2-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 80734222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).