2-N-(4-methoxy-3-methylphenyl)-2-methylpropane-1,2-diamine

C12H20N2O — CID 115131601

IUPAC2-N-(4-methoxy-3-methylphenyl)-2-methylpropane-1,2-diamine
SMILESCOc1ccc(NC(C)(C)CN)cc1C
InChIInChI=1S/C12H20N2O/c1-9-7-10(5-6-11(9)15-4)14-12(2,3)8-13/h5-7,14H,8,13H2,1-4H3
InChIKeySBZYURJMUBICDY-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.15
Rot. Bonds4

About 2-N-(4-methoxy-3-methylphenyl)-2-methylpropane-1,2-diamine

2-N-(4-methoxy-3-methylphenyl)-2-methylpropane-1,2-diamine (PubChem CID 115131601) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-N-(4-methoxy-3-methylphenyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-methoxy-3-methylphenyl)-2-methylpropane-1,2-diamine
PubChem CID115131601
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-N-(4-methoxy-3-methylphenyl)-2-methylpropane-1,2-diamine
SMILESCOc1ccc(NC(C)(C)CN)cc1C
InChIInChI=1S/C12H20N2O/c1-9-7-10(5-6-11(9)15-4)14-12(2,3)8-13/h5-7,14H,8,13H2,1-4H3
InChIKeySBZYURJMUBICDY-UHFFFAOYSA-N
XLogP2.15
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-N-(3-bromo-4-methoxyphenyl)-3-methylbutane-1,3-diamine
CID 115134422
N'-(4-methoxy-3-methylphenyl)-2-methylbutane-1,4-diamine
CID 115202913
ethane;4-methoxy-N,3-dimethylaniline
CID 142876075
ethane;2-(4-methoxy-3-methylanilino)ethanol
CID 142353980
4-methoxy-3-methyl-N-prop-2-enylaniline
CID 62140319
4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 63455858
5-(4-methoxy-3-methylphenyl)-3,3-dimethylpentan-1-amine
CID 65305287
3-(aminomethyl)-N-(4-methoxy-3-methylphenyl)pentanamide
CID 81086588
1-(4-methoxy-3-methylphenyl)-N,N,3,3-tetramethylbutane-1,4-diamine
CID 116905729
N'-hydroxy-2-(4-methoxy-3-methylanilino)ethanimidamide
CID 77030951
N-[(E)-3-chloro-2-methylprop-2-enyl]-4-methoxy-3-methylaniline
CID 106437613
1-(4-methoxy-3-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116948987

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxy-3-methylphenyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(4-methoxy-3-methylphenyl)-2-methylpropane-1,2-diamine (CID 115131601) is 2-N-(4-methoxy-3-methylphenyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(4-methoxy-3-methylphenyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(4-methoxy-3-methylphenyl)-2-methylpropane-1,2-diamine is COc1ccc(NC(C)(C)CN)cc1C.
What is the InChIKey of 2-N-(4-methoxy-3-methylphenyl)-2-methylpropane-1,2-diamine?
The InChIKey is SBZYURJMUBICDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-7-10(5-6-11(9)15-4)14-12(2,3)8-13/h5-7,14H,8,13H2,1-4H3.
What are the key properties of 2-N-(4-methoxy-3-methylphenyl)-2-methylpropane-1,2-diamine?
2-N-(4-methoxy-3-methylphenyl)-2-methylpropane-1,2-diamine has a molecular weight of 208.30 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxy-3-methylphenyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 115131601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).