1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine

C12H20N2O — CID 62066957

IUPAC1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine
SMILESCOc1cccc(C(CN)NC(C)C)c1
InChIInChI=1S/C12H20N2O/c1-9(2)14-12(8-13)10-5-4-6-11(7-10)15-3/h4-7,9,12,14H,8,13H2,1-3H3
InChIKeyHXBKVCLEWRWJIY-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.69
Rot. Bonds5

About 1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine

1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine (PubChem CID 62066957) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine
PubChem CID62066957
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine
SMILESCOc1cccc(C(CN)NC(C)C)c1
InChIInChI=1S/C12H20N2O/c1-9(2)14-12(8-13)10-5-4-6-11(7-10)15-3/h4-7,9,12,14H,8,13H2,1-3H3
InChIKeyHXBKVCLEWRWJIY-UHFFFAOYSA-N
XLogP1.69
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-methoxyphenyl)-N-propan-2-ylethane-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

1-(3-methoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65381566
methyl 2-(3-methoxyphenyl)-2-(propan-2-ylamino)acetate
CID 60786504
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
3-fluoro-2-(3-methoxyphenyl)propan-1-amine
CID 83817226
1-(3-methoxyphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82314283
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
(2R)-2-[1-(3-methoxyphenyl)propylamino]propan-1-ol
CID 103778510
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
1-(3-methoxyphenyl)-2,3-dimethylbutan-1-amine
CID 115785901
1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62070144
1-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 65378177

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine (CID 62066957) is 1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine is COc1cccc(C(CN)NC(C)C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine?
The InChIKey is HXBKVCLEWRWJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(2)14-12(8-13)10-5-4-6-11(7-10)15-3/h4-7,9,12,14H,8,13H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine?
1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62066957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).