1-(2-pyrrolidin-1-ylphenyl)butan-2-amine

C14H22N2 — CID 63787070

IUPAC1-(2-pyrrolidin-1-ylphenyl)butan-2-amine
SMILESCCC(N)Cc1ccccc1N1CCCC1
InChIInChI=1S/C14H22N2/c1-2-13(15)11-12-7-3-4-8-14(12)16-9-5-6-10-16/h3-4,7-8,13H,2,5-6,9-11,15H2,1H3
InChIKeyGQUFZDWSIACDNB-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.57
Rot. Bonds4

About 1-(2-pyrrolidin-1-ylphenyl)butan-2-amine

1-(2-pyrrolidin-1-ylphenyl)butan-2-amine (PubChem CID 63787070) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(2-pyrrolidin-1-ylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-pyrrolidin-1-ylphenyl)butan-2-amine
PubChem CID63787070
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-(2-pyrrolidin-1-ylphenyl)butan-2-amine
SMILESCCC(N)Cc1ccccc1N1CCCC1
InChIInChI=1S/C14H22N2/c1-2-13(15)11-12-7-3-4-8-14(12)16-9-5-6-10-16/h3-4,7-8,13H,2,5-6,9-11,15H2,1H3
InChIKeyGQUFZDWSIACDNB-UHFFFAOYSA-N
XLogP2.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-1-ylphenyl)butan-2-amine?
The IUPAC name of 1-(2-pyrrolidin-1-ylphenyl)butan-2-amine (CID 63787070) is 1-(2-pyrrolidin-1-ylphenyl)butan-2-amine.
What is the SMILES notation for 1-(2-pyrrolidin-1-ylphenyl)butan-2-amine?
The canonical SMILES for 1-(2-pyrrolidin-1-ylphenyl)butan-2-amine is CCC(N)Cc1ccccc1N1CCCC1.
What is the InChIKey of 1-(2-pyrrolidin-1-ylphenyl)butan-2-amine?
The InChIKey is GQUFZDWSIACDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-2-13(15)11-12-7-3-4-8-14(12)16-9-5-6-10-16/h3-4,7-8,13H,2,5-6,9-11,15H2,1H3.
What are the key properties of 1-(2-pyrrolidin-1-ylphenyl)butan-2-amine?
1-(2-pyrrolidin-1-ylphenyl)butan-2-amine has a molecular weight of 218.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-1-ylphenyl)butan-2-amine is sourced from PubChem (CID 63787070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).