1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine

C12H20N2O — CID 62003980

IUPAC1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine
SMILESCOc1cccc(N(C)CC(C)(C)N)c1
InChIInChI=1S/C12H20N2O/c1-12(2,13)9-14(3)10-6-5-7-11(8-10)15-4/h5-8H,9,13H2,1-4H3
InChIKeyXIIFMCDYSSQSEZ-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.87
Rot. Bonds4

About 1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine

1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 62003980) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine
PubChem CID62003980
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine
SMILESCOc1cccc(N(C)CC(C)(C)N)c1
InChIInChI=1S/C12H20N2O/c1-12(2,13)9-14(3)10-6-5-7-11(8-10)15-4/h5-8H,9,13H2,1-4H3
InChIKeyXIIFMCDYSSQSEZ-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

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Related Compounds

1-N-(3-methoxyphenyl)-1-N,2,2-trimethylbutane-1,3-diamine
CID 66454499
2-N-ethyl-1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 62836361
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
N-[2-(bromomethyl)-2-ethylbutyl]-3-methoxy-N-methylaniline
CID 65003789
(2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 28772492
2-ethyl-N-(3-methoxyphenyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62260071
N'-(3-methoxyphenyl)-N',2,2-trimethylhexane-1,6-diamine
CID 106708049
4-(3-methoxy-N-methylanilino)-2,2-dimethylbutanenitrile
CID 65251156
1-amino-6-(3-methoxy-N-methylanilino)-2-methylhexan-2-ol
CID 64819164
3-amino-N-(3-methoxyphenyl)-N,2,2,3-tetramethylbutanamide
CID 65267204
N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-methylaniline
CID 79479150
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CID 80606084

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine (CID 62003980) is 1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine is COc1cccc(N(C)CC(C)(C)N)c1.
What is the InChIKey of 1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is XIIFMCDYSSQSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(2,13)9-14(3)10-6-5-7-11(8-10)15-4/h5-8H,9,13H2,1-4H3.
What are the key properties of 1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine?
1-N-(3-methoxyphenyl)-1-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 1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 62003980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).