2-N-benzyl-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine

C13H22N2O — CID 103225288

IUPAC2-N-benzyl-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
SMILESCNCC(COC)N(C)Cc1ccccc1
InChIInChI=1S/C13H22N2O/c1-14-9-13(11-16-3)15(2)10-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3
InChIKeyHXNLLNYRTQDHAT-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.35
Rot. Bonds7

About 2-N-benzyl-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine

2-N-benzyl-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 103225288) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-N-benzyl-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-benzyl-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
PubChem CID103225288
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-N-benzyl-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
SMILESCNCC(COC)N(C)Cc1ccccc1
InChIInChI=1S/C13H22N2O/c1-14-9-13(11-16-3)15(2)10-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3
InChIKeyHXNLLNYRTQDHAT-UHFFFAOYSA-N
XLogP1.35
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
CID 103225025
2-N-[(4-bromothiophen-2-yl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
CID 103226030
2-N-[(4-chlorophenyl)methyl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225027
2-N-[(4-bromophenyl)methyl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225090
2-N-[(3-chlorophenyl)methyl]-1-N-cyclopropyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225942
3-methoxy-2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103226082
1-N-tert-butyl-3-methoxy-2-N-methyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 103225728
3-methoxy-N-methyl-2-phenylmethoxypropan-1-amine
CID 103227745
3-methoxy-1-N,2-N-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 103226184
3-methoxy-2-N-methyl-1-N-propyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 103225664
1-methoxy-N,N-dimethyl-3-phenylmethoxypropan-2-amine
CID 123394130
2-N-benzyl-1-N-tert-butyl-2-N-methylbutane-1,2-diamine
CID 62424737

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-benzyl-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine (CID 103225288) is 2-N-benzyl-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-benzyl-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-benzyl-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine is CNCC(COC)N(C)Cc1ccccc1.
What is the InChIKey of 2-N-benzyl-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is HXNLLNYRTQDHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-14-9-13(11-16-3)15(2)10-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3.
What are the key properties of 2-N-benzyl-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine?
2-N-benzyl-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103225288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).