3,3-dimethoxy-2-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine

C15H26N2O3 — CID 66179840

IUPAC3,3-dimethoxy-2-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
SMILESCOc1ccccc1CN(C)C(C)(CN)C(OC)OC
InChIInChI=1S/C15H26N2O3/c1-15(11-16,14(19-4)20-5)17(2)10-12-8-6-7-9-13(12)18-3/h6-9,14H,10-11,16H2,1-5H3
InChIKeyCFLQCYIWJHFMAK-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.46
Rot. Bonds8

About 3,3-dimethoxy-2-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine

3,3-dimethoxy-2-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 66179840) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3,3-dimethoxy-2-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name3,3-dimethoxy-2-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
PubChem CID66179840
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3,3-dimethoxy-2-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
SMILESCOc1ccccc1CN(C)C(C)(CN)C(OC)OC
InChIInChI=1S/C15H26N2O3/c1-15(11-16,14(19-4)20-5)17(2)10-12-8-6-7-9-13(12)18-3/h6-9,14H,10-11,16H2,1-5H3
InChIKeyCFLQCYIWJHFMAK-UHFFFAOYSA-N
XLogP1.46
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-N-[(3-bromophenyl)methyl]-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine
CID 66179643
2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115882414
methyl 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate
CID 115128504
(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 61157066
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420134
2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethylpentane-1,2-diamine
CID 61420132
1-[(2-methoxyphenyl)methyl-methylamino]ethanol
CID 67668408
5-methoxy-4-N-[(2-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine
CID 103391761
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
N'-[1-(2-methoxyphenyl)propan-2-yl]-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 65486907
2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N,2-dimethylpentane-1,2-diamine
CID 65484874
2-N-[(2-methoxyphenyl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine
CID 61420280

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethoxy-2-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 3,3-dimethoxy-2-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine (CID 66179840) is 3,3-dimethoxy-2-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 3,3-dimethoxy-2-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 3,3-dimethoxy-2-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine is COc1ccccc1CN(C)C(C)(CN)C(OC)OC.
What is the InChIKey of 3,3-dimethoxy-2-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is CFLQCYIWJHFMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-15(11-16,14(19-4)20-5)17(2)10-12-8-6-7-9-13(12)18-3/h6-9,14H,10-11,16H2,1-5H3.
What are the key properties of 3,3-dimethoxy-2-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine?
3,3-dimethoxy-2-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 282.38 g/mol, XLogP of 1.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxy-2-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 66179840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).