3-(2,5-diethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine

C17H28N2 — CID 83920926

IUPAC3-(2,5-diethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESCCc1ccc(CC)c(C(CCN)N2CCCC2)c1
InChIInChI=1S/C17H28N2/c1-3-14-7-8-15(4-2)16(13-14)17(9-10-18)19-11-5-6-12-19/h7-8,13,17H,3-6,9-12,18H2,1-2H3
InChIKeyKBBSDEVCUBHJHC-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.30
Rot. Bonds6

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

3-(2,5-diethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 83920926) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 3-(2,5-diethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2,5-diethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID83920926
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name3-(2,5-diethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESCCc1ccc(CC)c(C(CCN)N2CCCC2)c1
InChIInChI=1S/C17H28N2/c1-3-14-7-8-15(4-2)16(13-14)17(9-10-18)19-11-5-6-12-19/h7-8,13,17H,3-6,9-12,18H2,1-2H3
InChIKeyKBBSDEVCUBHJHC-UHFFFAOYSA-N
XLogP3.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-ethylphenyl)-4-pyrrolidin-1-ylbutan-1-amine
CID 112501186
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CID 97182150
(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethanamine
CID 97182151
2-(azepan-1-yl)-2-(2-ethylphenyl)ethanamine
CID 62392801
3-(2-methylphenyl)-3-piperidin-1-ylpropan-1-amine
CID 82082601
3-[2-methyl-4-(2-methylpropoxy)phenyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 83936988
3-(2-ethoxy-3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 83942051
3-pyrrolidin-1-yl-3-(2,3,4-trimethoxyphenyl)propan-1-amine
CID 83934065
2-(difluoromethyl)-1,4-diethylbenzene
CID 143346890
3-(3-ethoxyphenyl)-3-piperidin-1-ylpropan-1-amine
CID 112509278
1-(2,5-diethylphenyl)decan-1-amine
CID 65448585
3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-amine
CID 82023207

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-diethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 3-(2,5-diethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine (CID 83920926) is 3-(2,5-diethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 3-(2,5-diethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 3-(2,5-diethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine is CCc1ccc(CC)c(C(CCN)N2CCCC2)c1.
What is the InChIKey of 3-(2,5-diethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is KBBSDEVCUBHJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-14-7-8-15(4-2)16(13-14)17(9-10-18)19-11-5-6-12-19/h7-8,13,17H,3-6,9-12,18H2,1-2H3.
What are the key properties of 3-(2,5-diethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine?
3-(2,5-diethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-diethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 83920926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).