2-[2-(4-butylphenyl)pyrrolidin-1-yl]ethanamine

C16H26N2 — CID 112518528

IUPAC2-[2-(4-butylphenyl)pyrrolidin-1-yl]ethanamine
SMILESCCCCc1ccc(C2CCCN2CCN)cc1
InChIInChI=1S/C16H26N2/c1-2-3-5-14-7-9-15(10-8-14)16-6-4-12-18(16)13-11-17/h7-10,16H,2-6,11-13,17H2,1H3
InChIKeyZKJIPTYRWMWMGB-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.12
Rot. Bonds6

About 2-[2-(4-butylphenyl)pyrrolidin-1-yl]ethanamine

2-[2-(4-butylphenyl)pyrrolidin-1-yl]ethanamine (PubChem CID 112518528) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-[2-(4-butylphenyl)pyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-butylphenyl)pyrrolidin-1-yl]ethanamine
PubChem CID112518528
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-[2-(4-butylphenyl)pyrrolidin-1-yl]ethanamine
SMILESCCCCc1ccc(C2CCCN2CCN)cc1
InChIInChI=1S/C16H26N2/c1-2-3-5-14-7-9-15(10-8-14)16-6-4-12-18(16)13-11-17/h7-10,16H,2-6,11-13,17H2,1H3
InChIKeyZKJIPTYRWMWMGB-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanamine
CID 25248409
6-[2-(4-methylphenyl)pyrrolidin-1-yl]hexan-1-amine
CID 166174169
2-(4-fluorophenyl)-1-propylpyrrolidine
CID 102544448
2-(2-phenylpiperidin-1-yl)ethanamine
CID 69157822
2-(4-hexylphenyl)-1-propan-2-ylpyrrolidine
CID 167237433
1-butyl-2-phenylpiperidine
CID 10036306
2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanamine
CID 51619077
3-(4-butylphenyl)pyrrolidin-1-amine
CID 121406850
(2R)-2-(furan-3-yl)-1-propylpiperidine
CID 124500902
[(2S)-1-[2-(4-dodecylphenyl)ethyl]pyrrolidin-2-yl]methanol
CID 72735622
5-(1-butylpyrrolidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine
CID 102541889
3-butyl-5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 134038786

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-butylphenyl)pyrrolidin-1-yl]ethanamine?
The IUPAC name of 2-[2-(4-butylphenyl)pyrrolidin-1-yl]ethanamine (CID 112518528) is 2-[2-(4-butylphenyl)pyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 2-[2-(4-butylphenyl)pyrrolidin-1-yl]ethanamine?
The canonical SMILES for 2-[2-(4-butylphenyl)pyrrolidin-1-yl]ethanamine is CCCCc1ccc(C2CCCN2CCN)cc1.
What is the InChIKey of 2-[2-(4-butylphenyl)pyrrolidin-1-yl]ethanamine?
The InChIKey is ZKJIPTYRWMWMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-3-5-14-7-9-15(10-8-14)16-6-4-12-18(16)13-11-17/h7-10,16H,2-6,11-13,17H2,1H3.
What are the key properties of 2-[2-(4-butylphenyl)pyrrolidin-1-yl]ethanamine?
2-[2-(4-butylphenyl)pyrrolidin-1-yl]ethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-butylphenyl)pyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 112518528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).