4-phenyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine

C16H26N2 — CID 43181589

IUPAC4-phenyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
SMILESCC(CCc1ccccc1)NCCN1CCCC1
InChIInChI=1S/C16H26N2/c1-15(9-10-16-7-3-2-4-8-16)17-11-14-18-12-5-6-13-18/h2-4,7-8,15,17H,5-6,9-14H2,1H3
InChIKeyPDOLCBLKVKCERQ-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.69
Rot. Bonds7

About 4-phenyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine

4-phenyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine (PubChem CID 43181589) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-phenyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine.

Molecular Properties

Compound Name4-phenyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
PubChem CID43181589
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-phenyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
SMILESCC(CCc1ccccc1)NCCN1CCCC1
InChIInChI=1S/C16H26N2/c1-15(9-10-16-7-3-2-4-8-16)17-11-14-18-12-5-6-13-18/h2-4,7-8,15,17H,5-6,9-14H2,1H3
InChIKeyPDOLCBLKVKCERQ-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-(2-piperidin-1-ylethyl)propan-2-amine
CID 114993345
N-(2-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 61221225
(2S)-N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylbutan-2-amine
CID 95607721
N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-2-amine
CID 53211384
4-(3-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-2-amine
CID 61241070
1-phenyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine
CID 114173711
1-phenyl-N-(2-piperazin-1-ylethyl)propan-2-amine
CID 21152799
3-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 28658239
N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181621
4,4-diphenyl-N-(4-phenylbutan-2-yl)butan-1-amine
CID 10316304
N-[2-(azepan-1-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 61239803
1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43181599

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine?
The IUPAC name of 4-phenyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine (CID 43181589) is 4-phenyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine.
What is the SMILES notation for 4-phenyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine?
The canonical SMILES for 4-phenyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine is CC(CCc1ccccc1)NCCN1CCCC1.
What is the InChIKey of 4-phenyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine?
The InChIKey is PDOLCBLKVKCERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-15(9-10-16-7-3-2-4-8-16)17-11-14-18-12-5-6-13-18/h2-4,7-8,15,17H,5-6,9-14H2,1H3.
What are the key properties of 4-phenyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine?
4-phenyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine has a molecular weight of 246.40 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine is sourced from PubChem (CID 43181589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).