4-methoxy-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]aniline

C14H18N2OS — CID 43527900

IUPAC4-methoxy-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]aniline
SMILESCOc1ccc(N)cc1CN(C)Cc1ccsc1
InChIInChI=1S/C14H18N2OS/c1-16(8-11-5-6-18-10-11)9-12-7-13(15)3-4-14(12)17-2/h3-7,10H,8-9,15H2,1-2H3
InChIKeyIXMMVBUAJNQTOL-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.97
Rot. Bonds5

About 4-methoxy-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]aniline

4-methoxy-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]aniline (PubChem CID 43527900) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-methoxy-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]aniline.

Molecular Properties

Compound Name4-methoxy-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]aniline
PubChem CID43527900
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name4-methoxy-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]aniline
SMILESCOc1ccc(N)cc1CN(C)Cc1ccsc1
InChIInChI=1S/C14H18N2OS/c1-16(8-11-5-6-18-10-11)9-12-7-13(15)3-4-14(12)17-2/h3-7,10H,8-9,15H2,1-2H3
InChIKeyIXMMVBUAJNQTOL-UHFFFAOYSA-N
XLogP2.97
TPSA38.49 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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[[benzyl(methyl)amino]methyl]-4-methoxyaniline
CID 43247150
2-methoxy-5-[[methyl(thiophen-3-ylmethyl)amino]methyl]benzenecarbothioamide
CID 65339589
3-methoxy-4-(thiophen-3-ylmethoxy)aniline
CID 62110785
2-(3,4-dimethoxyphenyl)-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
CID 23935467
1-[(5-amino-2-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 79384257
2-[(5-amino-2-methoxyphenyl)methyl-methylamino]acetamide
CID 43373789
4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-3-methoxyaniline
CID 107208321
4-amino-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenol
CID 61419975
4-methoxy-3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline
CID 60912676
4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-3-methoxyaniline
CID 107208324
3-N,4-dimethyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
CID 62588302
3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyaniline
CID 62861974

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]aniline?
The IUPAC name of 4-methoxy-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]aniline (CID 43527900) is 4-methoxy-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]aniline.
What is the SMILES notation for 4-methoxy-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]aniline?
The canonical SMILES for 4-methoxy-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]aniline is COc1ccc(N)cc1CN(C)Cc1ccsc1.
What is the InChIKey of 4-methoxy-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]aniline?
The InChIKey is IXMMVBUAJNQTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-16(8-11-5-6-18-10-11)9-12-7-13(15)3-4-14(12)17-2/h3-7,10H,8-9,15H2,1-2H3.
What are the key properties of 4-methoxy-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]aniline?
4-methoxy-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]aniline has a molecular weight of 262.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]aniline is sourced from PubChem (CID 43527900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).