2-N-[1-(2-methoxyphenyl)propyl]-1-N,1-N-dimethylpropane-1,2-diamine

C15H26N2O — CID 82944788

IUPAC2-N-[1-(2-methoxyphenyl)propyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCC(NC(C)CN(C)C)c1ccccc1OC
InChIInChI=1S/C15H26N2O/c1-6-14(16-12(2)11-17(3)4)13-9-7-8-10-15(13)18-5/h7-10,12,14,16H,6,11H2,1-5H3
InChIKeyOOVGIPYJZDZWQN-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.69
Rot. Bonds7

About 2-N-[1-(2-methoxyphenyl)propyl]-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[1-(2-methoxyphenyl)propyl]-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 82944788) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-N-[1-(2-methoxyphenyl)propyl]-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(2-methoxyphenyl)propyl]-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID82944788
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-N-[1-(2-methoxyphenyl)propyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCC(NC(C)CN(C)C)c1ccccc1OC
InChIInChI=1S/C15H26N2O/c1-6-14(16-12(2)11-17(3)4)13-9-7-8-10-15(13)18-5/h7-10,12,14,16H,6,11H2,1-5H3
InChIKeyOOVGIPYJZDZWQN-UHFFFAOYSA-N
XLogP2.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
3-[1-(2-methoxyphenyl)propylamino]-2-methylbutan-2-ol
CID 65337762
(2R)-2-[1-(2-methoxyphenyl)propylamino]-2-phenylethanol
CID 103788814
1-(2-methoxyphenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62090502
1-[1-(2-methoxyphenyl)propylamino]propan-2-ol
CID 43776231
1-ethoxy-N-[1-(2-methoxyphenyl)propyl]-3-methylbutan-2-amine
CID 103271705
N-[1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43693470
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 81349240
tert-butyl N-[2-[1-(2-methoxyphenyl)propylamino]propyl]carbamate
CID 103388310
1-cyclopropyl-N-[1-(2-methoxyphenyl)propyl]propan-1-amine
CID 64918822
N-[1-(2-methoxyphenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43783277
N-[(1S)-1-cyclohexylethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 81387812

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2-methoxyphenyl)propyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[1-(2-methoxyphenyl)propyl]-1-N,1-N-dimethylpropane-1,2-diamine (CID 82944788) is 2-N-[1-(2-methoxyphenyl)propyl]-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(2-methoxyphenyl)propyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[1-(2-methoxyphenyl)propyl]-1-N,1-N-dimethylpropane-1,2-diamine is CCC(NC(C)CN(C)C)c1ccccc1OC.
What is the InChIKey of 2-N-[1-(2-methoxyphenyl)propyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is OOVGIPYJZDZWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-6-14(16-12(2)11-17(3)4)13-9-7-8-10-15(13)18-5/h7-10,12,14,16H,6,11H2,1-5H3.
What are the key properties of 2-N-[1-(2-methoxyphenyl)propyl]-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[1-(2-methoxyphenyl)propyl]-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2-methoxyphenyl)propyl]-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 82944788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).