1-(4-methoxy-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine

C12H20N2O — CID 79093283

IUPAC1-(4-methoxy-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc(C(N)CN(C)C)c(C)c1
InChIInChI=1S/C12H20N2O/c1-9-7-10(15-4)5-6-11(9)12(13)8-14(2)3/h5-7,12H,8,13H2,1-4H3
InChIKeyUBQQWRHTGOQDNH-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.57
Rot. Bonds4

About 1-(4-methoxy-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine

1-(4-methoxy-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 79093283) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID79093283
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(4-methoxy-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc(C(N)CN(C)C)c(C)c1
InChIInChI=1S/C12H20N2O/c1-9-7-10(15-4)5-6-11(9)12(13)8-14(2)3/h5-7,12H,8,13H2,1-4H3
InChIKeyUBQQWRHTGOQDNH-UHFFFAOYSA-N
XLogP1.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxy-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine 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

(1R)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 168719792
(1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 171233415
1-(4-methoxy-2-methylphenyl)butan-1-amine
CID 43198786
1-(4-methoxy-2-methylphenyl)hexan-1-amine
CID 43125402
(3S)-3-amino-3-(4-methoxy-2-methylphenyl)propanenitrile
CID 131124943
(1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride
CID 171233420
(4R)-4-amino-4-(4-methoxy-2-methylphenyl)butan-1-ol;hydrochloride
CID 171213822
1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-amine
CID 114874188
1-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylethanamine
CID 65318126
2-(4-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)ethanamine
CID 105115241
1-[amino-(4-methoxy-2-methylphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070446
N',N'-dimethyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 16782044

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine (CID 79093283) is 1-(4-methoxy-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine is COc1ccc(C(N)CN(C)C)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is UBQQWRHTGOQDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-7-10(15-4)5-6-11(9)12(13)8-14(2)3/h5-7,12H,8,13H2,1-4H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine?
1-(4-methoxy-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 208.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 79093283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).