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

C12H20N2O — CID 84748167

IUPAC1-(4-methoxyphenyl)-2-N',2-N'-dimethylpropane-2,2-diamine
SMILESCOc1ccc(CC(C)(N)N(C)C)cc1
InChIInChI=1S/C12H20N2O/c1-12(13,14(2)3)9-10-5-7-11(15-4)8-6-10/h5-8H,9,13H2,1-4H3
InChIKeyCVSXJGNAGDXADA-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.47
Rot. Bonds4

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

1-(4-methoxyphenyl)-2-N',2-N'-dimethylpropane-2,2-diamine (PubChem CID 84748167) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-N',2-N'-dimethylpropane-2,2-diamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-N',2-N'-dimethylpropane-2,2-diamine
PubChem CID84748167
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(4-methoxyphenyl)-2-N',2-N'-dimethylpropane-2,2-diamine
SMILESCOc1ccc(CC(C)(N)N(C)C)cc1
InChIInChI=1S/C12H20N2O/c1-12(13,14(2)3)9-10-5-7-11(15-4)8-6-10/h5-8H,9,13H2,1-4H3
InChIKeyCVSXJGNAGDXADA-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-N',2-N'-diethyl-1-(4-methoxyphenyl)propane-2,2-diamine
CID 84752655
1-(4-methoxyphenyl)-2-N',2-N'-dipropylpropane-2,2-diamine
CID 84747739
1,2-bis(4-methoxyphenyl)propan-2-amine
CID 63273092
2-amino-3-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 22961263
1-(4-iodophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
CID 65477669
2-amino-3-(4-methoxyphenyl)-2-methylpropanenitrile
CID 14989929
3-(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 131843624
3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-phenylpropane-1,2-diamine
CID 60709902
3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylpropyl)propane-1,2-diamine
CID 55169280
1-(3,4-difluorophenyl)-2-N',2-N'-dimethylpropane-2,2-diamine
CID 84752735
1-[1,3-bis(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]propan-2-yl]-4-methoxybenzene
CID 71248389
2-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine
CID 63273223

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-N',2-N'-dimethylpropane-2,2-diamine?
The IUPAC name of 1-(4-methoxyphenyl)-2-N',2-N'-dimethylpropane-2,2-diamine (CID 84748167) is 1-(4-methoxyphenyl)-2-N',2-N'-dimethylpropane-2,2-diamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-N',2-N'-dimethylpropane-2,2-diamine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-N',2-N'-dimethylpropane-2,2-diamine is COc1ccc(CC(C)(N)N(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-N',2-N'-dimethylpropane-2,2-diamine?
The InChIKey is CVSXJGNAGDXADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(13,14(2)3)9-10-5-7-11(15-4)8-6-10/h5-8H,9,13H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-2-N',2-N'-dimethylpropane-2,2-diamine?
1-(4-methoxyphenyl)-2-N',2-N'-dimethylpropane-2,2-diamine has a molecular weight of 208.30 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-N',2-N'-dimethylpropane-2,2-diamine is sourced from PubChem (CID 84748167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).