2-N-ethyl-1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine

C14H24N2O — CID 62836361

IUPAC2-N-ethyl-1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine
SMILESCCNC(C)(C)CN(C)c1cccc(OC)c1
InChIInChI=1S/C14H24N2O/c1-6-15-14(2,3)11-16(4)12-8-7-9-13(10-12)17-5/h7-10,15H,6,11H2,1-5H3
InChIKeyUNVHKKRKZNUOKH-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.52
Rot. Bonds6

About 2-N-ethyl-1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine

2-N-ethyl-1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 62836361) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-N-ethyl-1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine
PubChem CID62836361
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-N-ethyl-1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine
SMILESCCNC(C)(C)CN(C)c1cccc(OC)c1
InChIInChI=1S/C14H24N2O/c1-6-15-14(2,3)11-16(4)12-8-7-9-13(10-12)17-5/h7-10,15H,6,11H2,1-5H3
InChIKeyUNVHKKRKZNUOKH-UHFFFAOYSA-N
XLogP2.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 62003980
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N-[2-(bromomethyl)-2-ethylbutyl]-3-methoxy-N-methylaniline
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1-N-(3-methoxyphenyl)-1-N,2,2-trimethylbutane-1,3-diamine
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5-(3-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol
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N-ethyl-5-[(3-methoxy-N-methylanilino)methyl]-1,3,4-thiadiazol-2-amine
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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine (CID 62836361) is 2-N-ethyl-1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine is CCNC(C)(C)CN(C)c1cccc(OC)c1.
What is the InChIKey of 2-N-ethyl-1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is UNVHKKRKZNUOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-6-15-14(2,3)11-16(4)12-8-7-9-13(10-12)17-5/h7-10,15H,6,11H2,1-5H3.
What are the key properties of 2-N-ethyl-1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine?
2-N-ethyl-1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 62836361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).