3-(4-ethoxyphenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine

C18H32N2O — CID 84752096

IUPAC3-(4-ethoxyphenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
SMILESCCCN(CCC)C(C)(CN)Cc1ccc(OCC)cc1
InChIInChI=1S/C18H32N2O/c1-5-12-20(13-6-2)18(4,15-19)14-16-8-10-17(11-9-16)21-7-3/h8-11H,5-7,12-15,19H2,1-4H3
InChIKeyRYUGDUORERMGPJ-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.47
Rot. Bonds10

About 3-(4-ethoxyphenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine

3-(4-ethoxyphenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine (PubChem CID 84752096) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
PubChem CID84752096
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name3-(4-ethoxyphenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
SMILESCCCN(CCC)C(C)(CN)Cc1ccc(OCC)cc1
InChIInChI=1S/C18H32N2O/c1-5-12-20(13-6-2)18(4,15-19)14-16-8-10-17(11-9-16)21-7-3/h8-11H,5-7,12-15,19H2,1-4H3
InChIKeyRYUGDUORERMGPJ-UHFFFAOYSA-N
XLogP3.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
CID 84752089
2-[(4-ethoxyphenyl)methyl]-2-ethylbutan-1-amine
CID 82111067
1-(4-methoxyphenyl)-2-N',2-N'-dipropylpropane-2,2-diamine
CID 84747739
3-(4-fluorophenyl)-2-N,2-N-bis(2-methoxyethyl)-2-methylpropane-1,2-diamine
CID 114831154
3-[4-(diethylamino)phenyl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
CID 84752196
2-methyl-3-(2-methylphenyl)-2-N,2-N-dipropylpropane-1,2-diamine
CID 84752095
1-(4-ethoxyphenyl)-N,2-dimethylpropan-2-amine
CID 94681273
2-N,2-N-dibutyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831034
3-(2-fluorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
CID 84746068
2-(4-ethoxyphenyl)-2-propylpentan-1-amine
CID 54886699
2-(diethylamino)-3-(4-ethoxyphenyl)-2-methylpropanoic acid
CID 84752439
3-(4-ethoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 84752230

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine?
The IUPAC name of 3-(4-ethoxyphenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine (CID 84752096) is 3-(4-ethoxyphenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine.
What is the SMILES notation for 3-(4-ethoxyphenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine?
The canonical SMILES for 3-(4-ethoxyphenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine is CCCN(CCC)C(C)(CN)Cc1ccc(OCC)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine?
The InChIKey is RYUGDUORERMGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-5-12-20(13-6-2)18(4,15-19)14-16-8-10-17(11-9-16)21-7-3/h8-11H,5-7,12-15,19H2,1-4H3.
What are the key properties of 3-(4-ethoxyphenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine?
3-(4-ethoxyphenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.47, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine is sourced from PubChem (CID 84752096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).