1-(4-methoxy-3-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine

C14H24N2O — CID 116948987

IUPAC1-(4-methoxy-3-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
SMILESCNC(c1ccc(OC)c(C)c1)C(C)(C)CN
InChIInChI=1S/C14H24N2O/c1-10-8-11(6-7-12(10)17-5)13(16-4)14(2,3)9-15/h6-8,13,16H,9,15H2,1-5H3
InChIKeyFYUMVFXHRDCPBN-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.25
Rot. Bonds5

About 1-(4-methoxy-3-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine

1-(4-methoxy-3-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine (PubChem CID 116948987) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
PubChem CID116948987
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(4-methoxy-3-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
SMILESCNC(c1ccc(OC)c(C)c1)C(C)(C)CN
InChIInChI=1S/C14H24N2O/c1-10-8-11(6-7-12(10)17-5)13(16-4)14(2,3)9-15/h6-8,13,16H,9,15H2,1-5H3
InChIKeyFYUMVFXHRDCPBN-UHFFFAOYSA-N
XLogP2.25
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949042
1-(5-bromo-2-methoxyphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949009
1-(2-methoxy-4,6-dimethylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949052
1-(4-methoxy-3-methylphenyl)-N,N,3,3-tetramethylbutane-1,4-diamine
CID 116905729
1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine
CID 43379636
1-(3,4-dichlorophenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949072
2-(aminomethyl)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-ol
CID 79137885
(1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 55278362
2-(4-methoxy-3-methylphenyl)-2-(methylamino)ethanol
CID 62132456
1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-1-amine
CID 43379716
N,2,2-trimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine
CID 116948977
2,2-difluoro-1-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 80605627

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine (CID 116948987) is 1-(4-methoxy-3-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine is CNC(c1ccc(OC)c(C)c1)C(C)(C)CN.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine?
The InChIKey is FYUMVFXHRDCPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10-8-11(6-7-12(10)17-5)13(16-4)14(2,3)9-15/h6-8,13,16H,9,15H2,1-5H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine?
1-(4-methoxy-3-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 116948987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).