2-[(3-methoxyphenyl)methoxy]-N,2-dimethylpropan-1-amine

C13H21NO2 — CID 62354804

IUPAC2-[(3-methoxyphenyl)methoxy]-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)OCc1cccc(OC)c1
InChIInChI=1S/C13H21NO2/c1-13(2,10-14-3)16-9-11-6-5-7-12(8-11)15-4/h5-8,14H,9-10H2,1-4H3
InChIKeyXCWIUDDTGJLBSD-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.21
Rot. Bonds6

About 2-[(3-methoxyphenyl)methoxy]-N,2-dimethylpropan-1-amine

2-[(3-methoxyphenyl)methoxy]-N,2-dimethylpropan-1-amine (PubChem CID 62354804) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methoxy]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methoxy]-N,2-dimethylpropan-1-amine
PubChem CID62354804
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[(3-methoxyphenyl)methoxy]-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)OCc1cccc(OC)c1
InChIInChI=1S/C13H21NO2/c1-13(2,10-14-3)16-9-11-6-5-7-12(8-11)15-4/h5-8,14H,9-10H2,1-4H3
InChIKeyXCWIUDDTGJLBSD-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-methoxyphenyl)methoxy]-N,2-dimethylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 62724321
2-(3-methoxyphenoxy)-N,2-dimethylpropan-1-amine
CID 62353604
ethane;methanethiol;1-methoxy-3-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 142276005
ethane;1-(3-methoxyphenyl)-N-methylmethanamine
CID 142908093
1-(3-methoxyphenyl)-N,2-dimethylpropan-2-amine
CID 82125732
5-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897679
4-[(3-methoxyphenyl)methoxy]-N-methylaniline
CID 39205064
4-methoxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylbutan-1-amine
CID 104625005
N-(hydrazinylmethyl)-1-(3-methoxyphenyl)methanamine
CID 115260862
1-methoxy-3-(2,2,2-trifluoroethoxymethyl)benzene
CID 70661162
2-ethyl-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylbutan-1-amine
CID 103702080
1-[4-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 61268156

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methoxy]-N,2-dimethylpropan-1-amine?
The IUPAC name of 2-[(3-methoxyphenyl)methoxy]-N,2-dimethylpropan-1-amine (CID 62354804) is 2-[(3-methoxyphenyl)methoxy]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methoxy]-N,2-dimethylpropan-1-amine?
The canonical SMILES for 2-[(3-methoxyphenyl)methoxy]-N,2-dimethylpropan-1-amine is CNCC(C)(C)OCc1cccc(OC)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methoxy]-N,2-dimethylpropan-1-amine?
The InChIKey is XCWIUDDTGJLBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-13(2,10-14-3)16-9-11-6-5-7-12(8-11)15-4/h5-8,14H,9-10H2,1-4H3.
What are the key properties of 2-[(3-methoxyphenyl)methoxy]-N,2-dimethylpropan-1-amine?
2-[(3-methoxyphenyl)methoxy]-N,2-dimethylpropan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methoxy]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 62354804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).