4-methoxy-2-N,3-dimethyl-2-N-phenylbutane-1,2-diamine

C13H22N2O — CID 116501559

IUPAC4-methoxy-2-N,3-dimethyl-2-N-phenylbutane-1,2-diamine
SMILESCOCC(C)C(CN)N(C)c1ccccc1
InChIInChI=1S/C13H22N2O/c1-11(10-16-3)13(9-14)15(2)12-7-5-4-6-8-12/h4-8,11,13H,9-10,14H2,1-3H3
InChIKeyCSQNJTSNNPNCKF-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.73
Rot. Bonds6

About 4-methoxy-2-N,3-dimethyl-2-N-phenylbutane-1,2-diamine

4-methoxy-2-N,3-dimethyl-2-N-phenylbutane-1,2-diamine (PubChem CID 116501559) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-methoxy-2-N,3-dimethyl-2-N-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-2-N,3-dimethyl-2-N-phenylbutane-1,2-diamine
PubChem CID116501559
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-methoxy-2-N,3-dimethyl-2-N-phenylbutane-1,2-diamine
SMILESCOCC(C)C(CN)N(C)c1ccccc1
InChIInChI=1S/C13H22N2O/c1-11(10-16-3)13(9-14)15(2)12-7-5-4-6-8-12/h4-8,11,13H,9-10,14H2,1-3H3
InChIKeyCSQNJTSNNPNCKF-UHFFFAOYSA-N
XLogP1.73
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-butyl-4-methoxy-3-methyl-2-N-phenylbutane-1,2-diamine
CID 116501784
4-methoxy-2-N,3-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine
CID 116501648
2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-3-methylbutane-1,2-diamine
CID 116501699
2-N-(1-methoxypropan-2-yl)-2-N-methylbenzene-1,2-diamine
CID 61449915
3-methoxy-2-phenylpropan-1-amine
CID 66968828
4-methoxy-3-methyl-1-phenylbutan-2-amine
CID 115625025
2-N,3-dimethyl-2-N-(4-propan-2-ylphenyl)butane-1,2-diamine
CID 115137983
2-[2-amino-1-(N-methylanilino)ethyl]-5-methoxyphenol
CID 82043143
2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-phenylbutane-1,2-diamine
CID 55129264
1-[4-(dimethylamino)phenyl]-N-methyl-N-phenylethane-1,2-diamine
CID 16793153
N-[methoxymethoxy(phenyl)methyl]-N-methylaniline
CID 118542303
3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol
CID 24900022

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-N,3-dimethyl-2-N-phenylbutane-1,2-diamine?
The IUPAC name of 4-methoxy-2-N,3-dimethyl-2-N-phenylbutane-1,2-diamine (CID 116501559) is 4-methoxy-2-N,3-dimethyl-2-N-phenylbutane-1,2-diamine.
What is the SMILES notation for 4-methoxy-2-N,3-dimethyl-2-N-phenylbutane-1,2-diamine?
The canonical SMILES for 4-methoxy-2-N,3-dimethyl-2-N-phenylbutane-1,2-diamine is COCC(C)C(CN)N(C)c1ccccc1.
What is the InChIKey of 4-methoxy-2-N,3-dimethyl-2-N-phenylbutane-1,2-diamine?
The InChIKey is CSQNJTSNNPNCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(10-16-3)13(9-14)15(2)12-7-5-4-6-8-12/h4-8,11,13H,9-10,14H2,1-3H3.
What are the key properties of 4-methoxy-2-N,3-dimethyl-2-N-phenylbutane-1,2-diamine?
4-methoxy-2-N,3-dimethyl-2-N-phenylbutane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-N,3-dimethyl-2-N-phenylbutane-1,2-diamine is sourced from PubChem (CID 116501559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).