2-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine

C14H24N2O2 — CID 115132665

IUPAC2-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCNCC(C)(C)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H24N2O2/c1-14(2,10-15-3)16-9-11-6-7-12(17-4)13(8-11)18-5/h6-8,15-16H,9-10H2,1-5H3
InChIKeyLACLEGZFQMIFKL-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.79
Rot. Bonds7

About 2-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine

2-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 115132665) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
PubChem CID115132665
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCNCC(C)(C)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H24N2O2/c1-14(2,10-15-3)16-9-11-6-7-12(17-4)13(8-11)18-5/h6-8,15-16H,9-10H2,1-5H3
InChIKeyLACLEGZFQMIFKL-UHFFFAOYSA-N
XLogP1.79
TPSA42.52 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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-methylpentan-2-amine
CID 113234422
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]propan-2-amine
CID 19868328
2-[(3,4-dimethoxyphenyl)methylamino]-2-methylpropanenitrile
CID 28702633
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpentan-2-amine
CID 115621687
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717191
1-methoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 115608160
3-[(3,4-dimethoxyphenyl)methylamino]-2,2,3-trimethylbutanoic acid
CID 65265256
2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylacetamide
CID 63000645
2-[2-methoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol
CID 17211061
N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 2446536
3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]-3-methylbutanamide
CID 106095993
2-(4-ethyl-2-methoxyphenoxy)-N,2-dimethylpropan-1-amine
CID 107668292

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine (CID 115132665) is 2-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine is CNCC(C)(C)NCc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is LACLEGZFQMIFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(2,10-15-3)16-9-11-6-7-12(17-4)13(8-11)18-5/h6-8,15-16H,9-10H2,1-5H3.
What are the key properties of 2-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine?
2-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115132665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).