1-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]propane-1,2-diamine

C14H24N2O — CID 115196603

IUPAC1-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]propane-1,2-diamine
SMILESCOc1cc(C)c(CNCC(C)N)c(C)c1C
InChIInChI=1S/C14H24N2O/c1-9-6-14(17-5)12(4)11(3)13(9)8-16-7-10(2)15/h6,10,16H,7-8,15H2,1-5H3
InChIKeyGOVBSTQNMDFFMO-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.06
Rot. Bonds5

About 1-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]propane-1,2-diamine

1-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]propane-1,2-diamine (PubChem CID 115196603) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]propane-1,2-diamine
PubChem CID115196603
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]propane-1,2-diamine
SMILESCOc1cc(C)c(CNCC(C)N)c(C)c1C
InChIInChI=1S/C14H24N2O/c1-9-6-14(17-5)12(4)11(3)13(9)8-16-7-10(2)15/h6,10,16H,7-8,15H2,1-5H3
InChIKeyGOVBSTQNMDFFMO-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-2,2-dimethylpropane-1,3-diamine
CID 115200085
N-(methoxymethyl)-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine
CID 115258612
5-(4-methoxy-2,3,6-trimethylphenyl)-4-methylpentan-2-amine
CID 83939352
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine
CID 115244170
4-[(4-methoxy-2,3,6-trimethylphenyl)methylamino]butan-1-ol
CID 115217636
3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine
CID 116924769
1-(4-methoxy-2,3,6-trimethylphenyl)propan-2-ol
CID 117114494
1-N-(2,5-dimethoxy-3,4-dimethylphenyl)propane-1,2-diamine
CID 115196355
1-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine
CID 115196543
1-N-(4-methoxy-2,3,6-trimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196463
2-amino-3-(4-methoxy-2,3,6-trimethylphenyl)propanenitrile
CID 116851197
1-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2-diamine
CID 115196260

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]propane-1,2-diamine?
The IUPAC name of 1-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]propane-1,2-diamine (CID 115196603) is 1-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]propane-1,2-diamine?
The canonical SMILES for 1-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]propane-1,2-diamine is COc1cc(C)c(CNCC(C)N)c(C)c1C.
What is the InChIKey of 1-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]propane-1,2-diamine?
The InChIKey is GOVBSTQNMDFFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-9-6-14(17-5)12(4)11(3)13(9)8-16-7-10(2)15/h6,10,16H,7-8,15H2,1-5H3.
What are the key properties of 1-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]propane-1,2-diamine?
1-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]propane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 115196603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).