1-(4-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine

C14H24N2O — CID 116948631

IUPAC1-(4-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine
SMILESCNCCC(NC)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C14H24N2O/c1-10-8-12(9-11(2)14(10)17-5)13(16-4)6-7-15-3/h8-9,13,15-16H,6-7H2,1-5H3
InChIKeyCKPBTKGWDWCGQZ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.18
Rot. Bonds6

About 1-(4-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine

1-(4-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine (PubChem CID 116948631) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(4-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine
PubChem CID116948631
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(4-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine
SMILESCNCCC(NC)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C14H24N2O/c1-10-8-12(9-11(2)14(10)17-5)13(16-4)6-7-15-3/h8-9,13,15-16H,6-7H2,1-5H3
InChIKeyCKPBTKGWDWCGQZ-UHFFFAOYSA-N
XLogP2.18
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine
CID 116948624
3-(4-methoxy-3,5-dimethylphenyl)-3-(methylamino)propane-1-thiol
CID 116831472
1-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 83056847
2-(4-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanol
CID 116859297
1-(4-methoxy-3,5-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine
CID 83056700
1-(4,5-dimethoxy-2-methylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948581
1-(4-methoxy-3,5-dimethylphenyl)-N,3,3-trimethylbutane-1,4-diamine
CID 116950143
2-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 83833912
1-bromo-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 116961995
N,N'-dimethyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine
CID 116948588
1-(4-methoxy-3,5-dimethylphenyl)-N,2,2-trimethylbutan-1-amine
CID 83056918
1-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 83057729

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(4-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine (CID 116948631) is 1-(4-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(4-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine is CNCCC(NC)c1cc(C)c(OC)c(C)c1.
What is the InChIKey of 1-(4-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is CKPBTKGWDWCGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10-8-12(9-11(2)14(10)17-5)13(16-4)6-7-15-3/h8-9,13,15-16H,6-7H2,1-5H3.
What are the key properties of 1-(4-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine?
1-(4-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 116948631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).