3-(2-ethoxy-3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine

C17H28N2O — CID 83942051

IUPAC3-(2-ethoxy-3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESCCOc1c(C)cc(C)cc1C(CCN)N1CCCC1
InChIInChI=1S/C17H28N2O/c1-4-20-17-14(3)11-13(2)12-15(17)16(7-8-18)19-9-5-6-10-19/h11-12,16H,4-10,18H2,1-3H3
InChIKeyZOWKUFBVPRRWCS-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.19
Rot. Bonds6

About 3-(2-ethoxy-3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine

3-(2-ethoxy-3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 83942051) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-(2-ethoxy-3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2-ethoxy-3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID83942051
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-(2-ethoxy-3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESCCOc1c(C)cc(C)cc1C(CCN)N1CCCC1
InChIInChI=1S/C17H28N2O/c1-4-20-17-14(3)11-13(2)12-15(17)16(7-8-18)19-9-5-6-10-19/h11-12,16H,4-10,18H2,1-3H3
InChIKeyZOWKUFBVPRRWCS-UHFFFAOYSA-N
XLogP3.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylphenyl)-3-piperidin-1-ylpropan-1-amine
CID 82082601
3-(3,5-dichloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 83941084
3-[2-methyl-4-(2-methylpropoxy)phenyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 83936988
3-(3-ethoxyphenyl)-3-piperidin-1-ylpropan-1-amine
CID 112509278
3-(2-methyl-4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 83937117
3-pyrrolidin-1-yl-3-(2,3,4-trimethoxyphenyl)propan-1-amine
CID 83934065
3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-amine
CID 82023207
3-(3,5-dichloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 83941206
3-(2,5-diethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 83920926
3-amino-3-(2-ethoxy-3,5-dimethylphenyl)propanoic acid
CID 4023553
3-(5-chloro-2-ethoxy-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 83937613
2,4-diamino-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol
CID 83942307

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 3-(2-ethoxy-3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine (CID 83942051) is 3-(2-ethoxy-3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 3-(2-ethoxy-3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 3-(2-ethoxy-3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine is CCOc1c(C)cc(C)cc1C(CCN)N1CCCC1.
What is the InChIKey of 3-(2-ethoxy-3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is ZOWKUFBVPRRWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-20-17-14(3)11-13(2)12-15(17)16(7-8-18)19-9-5-6-10-19/h11-12,16H,4-10,18H2,1-3H3.
What are the key properties of 3-(2-ethoxy-3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine?
3-(2-ethoxy-3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 83942051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).