4-methoxy-3-(methylaminomethyl)aniline

C9H14N2O — CID 21415904

IUPAC4-methoxy-3-(methylaminomethyl)aniline
SMILESCNCc1cc(N)ccc1OC
InChIInChI=1S/C9H14N2O/c1-11-6-7-5-8(10)3-4-9(7)12-2/h3-5,11H,6,10H2,1-2H3
InChIKeyOTTYSNSAFWOZRR-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.00
Rot. Bonds3

About 4-methoxy-3-(methylaminomethyl)aniline

4-methoxy-3-(methylaminomethyl)aniline (PubChem CID 21415904) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-methoxy-3-(methylaminomethyl)aniline.

Molecular Properties

Compound Name4-methoxy-3-(methylaminomethyl)aniline
PubChem CID21415904
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4-methoxy-3-(methylaminomethyl)aniline
SMILESCNCc1cc(N)ccc1OC
InChIInChI=1S/C9H14N2O/c1-11-6-7-5-8(10)3-4-9(7)12-2/h3-5,11H,6,10H2,1-2H3
InChIKeyOTTYSNSAFWOZRR-UHFFFAOYSA-N
XLogP1.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-methoxy-2-[(sulfamoylamino)methyl]benzene
CID 114958694
4-methoxy-3-(methylaminomethyl)phenol
CID 84731678
N-[(5-amino-2-methoxyphenyl)methyl]-3,4,5-trimethoxyaniline
CID 142222409
4-methyl-3-(methylaminomethyl)aniline
CID 45078677
3-(2-amino-2-methylpropyl)-4-methoxyaniline
CID 84665627
1-[2-methoxy-5-[(E)-2-phenylethenyl]phenyl]-N-methylmethanamine
CID 56707768
N-[(5-amino-2-methoxyphenyl)methyl]pyridin-2-amine
CID 61014430
N-[(5-amino-2-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65275654
1-(2-methoxy-5-phenoxyphenyl)-N-methylmethanamine
CID 82552149
4-[(5-amino-2-methoxyphenyl)methylamino]-3-bromobenzonitrile
CID 82800949
2-[(5-amino-2-methoxyphenyl)methylamino]benzamide
CID 61015082
N-[(5-amino-2-methoxyphenyl)methyl]-4-bromobenzenesulfonamide
CID 61014555

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(methylaminomethyl)aniline?
The IUPAC name of 4-methoxy-3-(methylaminomethyl)aniline (CID 21415904) is 4-methoxy-3-(methylaminomethyl)aniline.
What is the SMILES notation for 4-methoxy-3-(methylaminomethyl)aniline?
The canonical SMILES for 4-methoxy-3-(methylaminomethyl)aniline is CNCc1cc(N)ccc1OC.
What is the InChIKey of 4-methoxy-3-(methylaminomethyl)aniline?
The InChIKey is OTTYSNSAFWOZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-11-6-7-5-8(10)3-4-9(7)12-2/h3-5,11H,6,10H2,1-2H3.
What are the key properties of 4-methoxy-3-(methylaminomethyl)aniline?
4-methoxy-3-(methylaminomethyl)aniline has a molecular weight of 166.22 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(methylaminomethyl)aniline is sourced from PubChem (CID 21415904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).