N'-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-methylpropane-1,3-diamine

C14H24N2O2 — CID 115198564

IUPACN'-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-methylpropane-1,3-diamine
SMILESCOc1cc(C)c(CNCC(C)CN)c(OC)c1
InChIInChI=1S/C14H24N2O2/c1-10(7-15)8-16-9-13-11(2)5-12(17-3)6-14(13)18-4/h5-6,10,16H,7-9,15H2,1-4H3
InChIKeyNTNOYNLQXSSGTB-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.70
Rot. Bonds7

About N'-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-methylpropane-1,3-diamine

N'-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-methylpropane-1,3-diamine (PubChem CID 115198564) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N'-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-methylpropane-1,3-diamine
PubChem CID115198564
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN'-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-methylpropane-1,3-diamine
SMILESCOc1cc(C)c(CNCC(C)CN)c(OC)c1
InChIInChI=1S/C14H24N2O2/c1-10(7-15)8-16-9-13-11(2)5-12(17-3)6-14(13)18-4/h5-6,10,16H,7-9,15H2,1-4H3
InChIKeyNTNOYNLQXSSGTB-UHFFFAOYSA-N
XLogP1.70
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 115198487
2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine
CID 63982546
N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-2-methylbutane-1,4-diamine
CID 115203222
N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198523
2-[(2,4-dimethoxy-6-methylphenyl)methylamino]propanenitrile
CID 115130211
2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine
CID 115592760
2-methyl-3-(2-methylimidazol-1-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine
CID 119122577
N-[(2,4-dimethoxy-6-methylphenyl)methyl]carbamoyl chloride
CID 115194702
4-(2,4-dimethoxy-6-methylphenyl)-3,3-dimethylbutan-1-amine
CID 116925176
1-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]propane-1,2-diamine
CID 115196603
(E)-4-[(2,4-dimethoxy-6-methylphenyl)methylamino]but-2-enoic acid
CID 115237156
1-N-[(2,4-dimethoxy-6-methylphenyl)methyl]cyclopentane-1,2-diamine
CID 115117437

Frequently Asked Questions

What is the IUPAC name of N'-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-methylpropane-1,3-diamine?
The IUPAC name of N'-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-methylpropane-1,3-diamine (CID 115198564) is N'-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-methylpropane-1,3-diamine?
The canonical SMILES for N'-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-methylpropane-1,3-diamine is COc1cc(C)c(CNCC(C)CN)c(OC)c1.
What is the InChIKey of N'-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-methylpropane-1,3-diamine?
The InChIKey is NTNOYNLQXSSGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10(7-15)8-16-9-13-11(2)5-12(17-3)6-14(13)18-4/h5-6,10,16H,7-9,15H2,1-4H3.
What are the key properties of N'-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-methylpropane-1,3-diamine?
N'-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-methylpropane-1,3-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,4-dimethoxy-6-methylphenyl)methyl]-2-methylpropane-1,3-diamine is sourced from PubChem (CID 115198564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).