2-N-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine

C12H20N2O — CID 115596113

IUPAC2-N-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCOc1ccc(N(C)C(C)(C)CN)cc1
InChIInChI=1S/C12H20N2O/c1-12(2,9-13)14(3)10-5-7-11(15-4)8-6-10/h5-8H,9,13H2,1-4H3
InChIKeyZRRQPWMTNIKFGY-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.87
Rot. Bonds4

About 2-N-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine

2-N-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 115596113) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-N-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
PubChem CID115596113
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-N-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCOc1ccc(N(C)C(C)(C)CN)cc1
InChIInChI=1S/C12H20N2O/c1-12(2,9-13)14(3)10-5-7-11(15-4)8-6-10/h5-8H,9,13H2,1-4H3
InChIKeyZRRQPWMTNIKFGY-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
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

2-N-(4-bromophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131728
2-N-(2-chloro-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131795
2-N-(3-tert-butyl-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131743
3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-phenylpropane-1,2-diamine
CID 60709902
1-amino-5-(4-methoxy-N-methylanilino)-2-methylpentan-2-ol
CID 64821862
4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332
N-(2,2-dimethoxyethyl)-4-methoxy-N-methylaniline
CID 66224043
3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylpropyl)propane-1,2-diamine
CID 55169280
3-N-(4-chlorophenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134535
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
1,1-bis(4-methoxyphenyl)hydrazine;hydrochloride
CID 20517959
1-(4-methoxyphenyl)-1,2,2-trimethylhydrazine
CID 130402433

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine (CID 115596113) is 2-N-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine is COc1ccc(N(C)C(C)(C)CN)cc1.
What is the InChIKey of 2-N-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is ZRRQPWMTNIKFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(2,9-13)14(3)10-5-7-11(15-4)8-6-10/h5-8H,9,13H2,1-4H3.
What are the key properties of 2-N-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine?
2-N-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 208.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115596113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).