3-methoxy-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline

C15H20N2OS — CID 107208320

IUPAC3-methoxy-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline
SMILESCOc1cc(N)ccc1CN(C)C(C)c1cccs1
InChIInChI=1S/C15H20N2OS/c1-11(15-5-4-8-19-15)17(2)10-12-6-7-13(16)9-14(12)18-3/h4-9,11H,10,16H2,1-3H3
InChIKeyCPHZIUNHQHLCHS-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.53
Rot. Bonds5

About 3-methoxy-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline

3-methoxy-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline (PubChem CID 107208320) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 3-methoxy-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline.

Molecular Properties

Compound Name3-methoxy-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline
PubChem CID107208320
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name3-methoxy-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline
SMILESCOc1cc(N)ccc1CN(C)C(C)c1cccs1
InChIInChI=1S/C15H20N2OS/c1-11(15-5-4-8-19-15)17(2)10-12-6-7-13(16)9-14(12)18-3/h4-9,11H,10,16H2,1-3H3
InChIKeyCPHZIUNHQHLCHS-UHFFFAOYSA-N
XLogP3.53
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.53
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

4-amino-2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenol
CID 54980602
4-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-3-methoxyaniline
CID 107208402
3-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]aniline
CID 107208237
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 54980749
N-[(2-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethane-1,2-diamine
CID 54983654
N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 134794915
2-methoxy-5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzoic acid
CID 65339650
2-methoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 55234561
2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79996148
4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-3-methoxyaniline
CID 107208324
4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-3-methoxyaniline
CID 107208321
N-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 91769308

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline?
The IUPAC name of 3-methoxy-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline (CID 107208320) is 3-methoxy-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline.
What is the SMILES notation for 3-methoxy-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline?
The canonical SMILES for 3-methoxy-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline is COc1cc(N)ccc1CN(C)C(C)c1cccs1.
What is the InChIKey of 3-methoxy-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline?
The InChIKey is CPHZIUNHQHLCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11(15-5-4-8-19-15)17(2)10-12-6-7-13(16)9-14(12)18-3/h4-9,11H,10,16H2,1-3H3.
What are the key properties of 3-methoxy-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline?
3-methoxy-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline has a molecular weight of 276.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]aniline is sourced from PubChem (CID 107208320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).