3-N-[2-(4-ethoxyphenyl)ethyl]-3-N-methylpropane-1,2,3-triamine

C14H25N3O — CID 115120101

IUPAC3-N-[2-(4-ethoxyphenyl)ethyl]-3-N-methylpropane-1,2,3-triamine
SMILESCCOc1ccc(CCN(C)CC(N)CN)cc1
InChIInChI=1S/C14H25N3O/c1-3-18-14-6-4-12(5-7-14)8-9-17(2)11-13(16)10-15/h4-7,13H,3,8-11,15-16H2,1-2H3
InChIKeyCETFPFSKIWHKDZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.85
Rot. Bonds8

About 3-N-[2-(4-ethoxyphenyl)ethyl]-3-N-methylpropane-1,2,3-triamine

3-N-[2-(4-ethoxyphenyl)ethyl]-3-N-methylpropane-1,2,3-triamine (PubChem CID 115120101) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-N-[2-(4-ethoxyphenyl)ethyl]-3-N-methylpropane-1,2,3-triamine.

Molecular Properties

Compound Name3-N-[2-(4-ethoxyphenyl)ethyl]-3-N-methylpropane-1,2,3-triamine
PubChem CID115120101
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-N-[2-(4-ethoxyphenyl)ethyl]-3-N-methylpropane-1,2,3-triamine
SMILESCCOc1ccc(CCN(C)CC(N)CN)cc1
InChIInChI=1S/C14H25N3O/c1-3-18-14-6-4-12(5-7-14)8-9-17(2)11-13(16)10-15/h4-7,13H,3,8-11,15-16H2,1-2H3
InChIKeyCETFPFSKIWHKDZ-UHFFFAOYSA-N
XLogP0.85
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)-N-(hydrazinylmethyl)-N-methylethanamine
CID 115261268
N-[2-(4-ethoxyphenyl)ethyl]-N-methylpentan-1-amine
CID 173290456
3-amino-N-[2-(4-ethoxyphenyl)ethyl]-N-methylbutanamide
CID 115154407
1-(4-ethoxyphenyl)heptan-4-amine
CID 83932178
1-N-[2-(4-ethoxyphenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222522
3-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-3-N-methylpropane-1,2,3-triamine
CID 115120085
3-N-[2-(3H-benzimidazol-5-yl)ethyl]-3-N-methylpropane-1,2,3-triamine
CID 115120132
2-amino-3-[methyl-[2-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 115120911
(2S)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 7138367
[1-[[2-(4-ethoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol
CID 115243738
2-[2-(4-ethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129696
1-(4-ethoxyphenyl)butan-2-amine
CID 43566029

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(4-ethoxyphenyl)ethyl]-3-N-methylpropane-1,2,3-triamine?
The IUPAC name of 3-N-[2-(4-ethoxyphenyl)ethyl]-3-N-methylpropane-1,2,3-triamine (CID 115120101) is 3-N-[2-(4-ethoxyphenyl)ethyl]-3-N-methylpropane-1,2,3-triamine.
What is the SMILES notation for 3-N-[2-(4-ethoxyphenyl)ethyl]-3-N-methylpropane-1,2,3-triamine?
The canonical SMILES for 3-N-[2-(4-ethoxyphenyl)ethyl]-3-N-methylpropane-1,2,3-triamine is CCOc1ccc(CCN(C)CC(N)CN)cc1.
What is the InChIKey of 3-N-[2-(4-ethoxyphenyl)ethyl]-3-N-methylpropane-1,2,3-triamine?
The InChIKey is CETFPFSKIWHKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-18-14-6-4-12(5-7-14)8-9-17(2)11-13(16)10-15/h4-7,13H,3,8-11,15-16H2,1-2H3.
What are the key properties of 3-N-[2-(4-ethoxyphenyl)ethyl]-3-N-methylpropane-1,2,3-triamine?
3-N-[2-(4-ethoxyphenyl)ethyl]-3-N-methylpropane-1,2,3-triamine has a molecular weight of 251.37 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(4-ethoxyphenyl)ethyl]-3-N-methylpropane-1,2,3-triamine is sourced from PubChem (CID 115120101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).