1-(4-ethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine

C13H22N2O — CID 112517875

IUPAC1-(4-ethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCCOc1ccc(C(N)CCN(C)C)cc1
InChIInChI=1S/C13H22N2O/c1-4-16-12-7-5-11(6-8-12)13(14)9-10-15(2)3/h5-8,13H,4,9-10,14H2,1-3H3
InChIKeyCSUYQANTYFKLRZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.04
Rot. Bonds6

About 1-(4-ethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine

1-(4-ethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 112517875) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID112517875
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(4-ethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCCOc1ccc(C(N)CCN(C)C)cc1
InChIInChI=1S/C13H22N2O/c1-4-16-12-7-5-11(6-8-12)13(14)9-10-15(2)3/h5-8,13H,4,9-10,14H2,1-3H3
InChIKeyCSUYQANTYFKLRZ-UHFFFAOYSA-N
XLogP2.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171200689
3-amino-3-(4-ethoxyphenyl)propan-1-ol
CID 3846701
(1S)-1-(4-ethoxyphenyl)pentan-1-amine;hydrochloride
CID 171220237
(1S)-1-(4-ethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171220228
(1R)-1-(4-ethoxyphenyl)pentane-1,5-diamine
CID 171200692
4-amino-4-(4-ethoxyphenyl)butanenitrile
CID 116939991
(1S)-1-(4-ethoxyphenyl)pent-4-en-1-amine
CID 171220253
1-(4-ethylsulfanylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 112518298
N',N'-dimethyl-1-phenylpropane-1,3-diamine
CID 25248080
1-(4-ethoxyphenyl)-N'-methyl-N'-pentylethane-1,2-diamine
CID 43294826
1-(4-ethoxyphenyl)-3-(2-methylphenyl)propan-1-amine
CID 105140845
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propan-1-amine
CID 105140871

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine (CID 112517875) is 1-(4-ethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine is CCOc1ccc(C(N)CCN(C)C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is CSUYQANTYFKLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-16-12-7-5-11(6-8-12)13(14)9-10-15(2)3/h5-8,13H,4,9-10,14H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine?
1-(4-ethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 112517875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).