4-(4-ethylphenyl)-4-pyrrolidin-1-ylbutan-1-amine

C16H26N2 — CID 112501186

IUPAC4-(4-ethylphenyl)-4-pyrrolidin-1-ylbutan-1-amine
SMILESCCc1ccc(C(CCCN)N2CCCC2)cc1
InChIInChI=1S/C16H26N2/c1-2-14-7-9-15(10-8-14)16(6-5-11-17)18-12-3-4-13-18/h7-10,16H,2-6,11-13,17H2,1H3
InChIKeySLFYISASLGHSTK-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.12
Rot. Bonds6

About 4-(4-ethylphenyl)-4-pyrrolidin-1-ylbutan-1-amine

4-(4-ethylphenyl)-4-pyrrolidin-1-ylbutan-1-amine (PubChem CID 112501186) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-4-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name4-(4-ethylphenyl)-4-pyrrolidin-1-ylbutan-1-amine
PubChem CID112501186
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-(4-ethylphenyl)-4-pyrrolidin-1-ylbutan-1-amine
SMILESCCc1ccc(C(CCCN)N2CCCC2)cc1
InChIInChI=1S/C16H26N2/c1-2-14-7-9-15(10-8-14)16(6-5-11-17)18-12-3-4-13-18/h7-10,16H,2-6,11-13,17H2,1H3
InChIKeySLFYISASLGHSTK-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

(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine
CID 97182150
(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethanamine
CID 97182151
1-[2-chloro-1-(4-ethylphenyl)ethyl]pyrrolidine
CID 82084005
2-(4-ethylphenyl)-2-piperidin-1-ylethanol
CID 54775819
3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-amine
CID 82023207
1-[(4-ethylphenyl)-piperidin-1-ylmethyl]piperidine
CID 71395685
4-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine
CID 112501196
3-(2,5-diethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 83920926
(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine
CID 9079311
4-(4-methoxyphenyl)-4-morpholin-4-ylbutan-1-amine
CID 112501198
3-(4-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 83926312
4-(3-amino-1-pyrrolidin-1-ylpropyl)benzonitrile
CID 83927429

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-4-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of 4-(4-ethylphenyl)-4-pyrrolidin-1-ylbutan-1-amine (CID 112501186) is 4-(4-ethylphenyl)-4-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for 4-(4-ethylphenyl)-4-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for 4-(4-ethylphenyl)-4-pyrrolidin-1-ylbutan-1-amine is CCc1ccc(C(CCCN)N2CCCC2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-4-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is SLFYISASLGHSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-14-7-9-15(10-8-14)16(6-5-11-17)18-12-3-4-13-18/h7-10,16H,2-6,11-13,17H2,1H3.
What are the key properties of 4-(4-ethylphenyl)-4-pyrrolidin-1-ylbutan-1-amine?
4-(4-ethylphenyl)-4-pyrrolidin-1-ylbutan-1-amine 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 4-(4-ethylphenyl)-4-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 112501186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).