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

C15H26N2O2 — CID 115222331

IUPAC1-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNC(C)(C)CN(C)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H26N2O2/c1-15(2,16-3)11-17(4)10-12-7-8-13(18-5)14(9-12)19-6/h7-9,16H,10-11H2,1-6H3
InChIKeyVAEGHIZJQQINQR-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.13
Rot. Bonds7

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

1-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 115222331) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID115222331
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNC(C)(C)CN(C)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H26N2O2/c1-15(2,16-3)11-17(4)10-12-7-8-13(18-5)14(9-12)19-6/h7-9,16H,10-11H2,1-6H3
InChIKeyVAEGHIZJQQINQR-UHFFFAOYSA-N
XLogP2.13
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 779156
N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373768
2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride
CID 2963067
N-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 54140133
1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115135992
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide
CID 115178823
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 16555071
2-bromo-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropan-1-amine
CID 80667582
1-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 115136999
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 55123362
1-[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-2-methylpropan-2-ol
CID 24714459
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methylethanamine;hydrochloride
CID 3029793

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine (CID 115222331) is 1-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine is CNC(C)(C)CN(C)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 1-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is VAEGHIZJQQINQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-15(2,16-3)11-17(4)10-12-7-8-13(18-5)14(9-12)19-6/h7-9,16H,10-11H2,1-6H3.
What are the key properties of 1-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 266.38 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 115222331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).