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

C12H20N2O — CID 16781513

IUPAC1-(4-methoxyphenyl)-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCOc1ccc(C(N)C(C)N(C)C)cc1
InChIInChI=1S/C12H20N2O/c1-9(14(2)3)12(13)10-5-7-11(15-4)8-6-10/h5-9,12H,13H2,1-4H3
InChIKeyOLPNOBWVSFXTEO-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.65
Rot. Bonds4

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

1-(4-methoxyphenyl)-2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 16781513) 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-1,2-diamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID16781513
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(4-methoxyphenyl)-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCOc1ccc(C(N)C(C)N(C)C)cc1
InChIInChI=1S/C12H20N2O/c1-9(14(2)3)12(13)10-5-7-11(15-4)8-6-10/h5-9,12H,13H2,1-4H3
InChIKeyOLPNOBWVSFXTEO-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-1-methoxy-1-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine
CID 172635703
1-(4-methoxyphenyl)-2-N-methyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81055276
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-(4-methoxyphenyl)propane-1,2-diamine
CID 102992432
3-amino-3-(4-methoxyphenyl)-2-methylpropanamide
CID 67167673
(1S,2R)-1-(4-methoxyphenyl)-2-N-methylpropane-1,2-diamine
CID 163535290
(1S,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol
CID 90478708
(1R,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol
CID 10707410
1-(4-methoxyphenyl)-1-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 55016192
3-(4-methoxyphenyl)butan-2-amine
CID 54524041
2-N-cyclopropyl-1-(4-methoxyphenyl)-2-N-propylpropane-1,2-diamine
CID 43270350
1-(4-methoxyphenyl)-2-methylbutane-1,4-diamine
CID 116933980

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-(4-methoxyphenyl)-2-N,2-N-dimethylpropane-1,2-diamine (CID 16781513) is 1-(4-methoxyphenyl)-2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-N,2-N-dimethylpropane-1,2-diamine is COc1ccc(C(N)C(C)N(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is OLPNOBWVSFXTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(14(2)3)12(13)10-5-7-11(15-4)8-6-10/h5-9,12H,13H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-2-N,2-N-dimethylpropane-1,2-diamine?
1-(4-methoxyphenyl)-2-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 208.30 g/mol, XLogP of 1.65, 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-1,2-diamine is sourced from PubChem (CID 16781513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).