4-phenyl-1-pyrrolidin-1-ylbutan-2-amine

C14H22N2 — CID 114929475

IUPAC4-phenyl-1-pyrrolidin-1-ylbutan-2-amine
SMILESNC(CCc1ccccc1)CN1CCCC1
InChIInChI=1S/C14H22N2/c15-14(12-16-10-4-5-11-16)9-8-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12,15H2
InChIKeyQZKKYJQGLBJDIZ-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.04
Rot. Bonds5

About 4-phenyl-1-pyrrolidin-1-ylbutan-2-amine

4-phenyl-1-pyrrolidin-1-ylbutan-2-amine (PubChem CID 114929475) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-phenyl-1-pyrrolidin-1-ylbutan-2-amine.

Molecular Properties

Compound Name4-phenyl-1-pyrrolidin-1-ylbutan-2-amine
PubChem CID114929475
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-phenyl-1-pyrrolidin-1-ylbutan-2-amine
SMILESNC(CCc1ccccc1)CN1CCCC1
InChIInChI=1S/C14H22N2/c15-14(12-16-10-4-5-11-16)9-8-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12,15H2
InChIKeyQZKKYJQGLBJDIZ-UHFFFAOYSA-N
XLogP2.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azocan-1-yl)-4-phenylbutan-2-amine
CID 114929504
1-[4-(2-methylpropyl)piperazin-1-yl]-4-phenylbutan-2-amine
CID 114929701
1-(4-methylpiperidin-1-yl)-4-phenylbutan-2-amine
CID 114929474
1-(3-methylpiperidin-1-yl)-4-phenylbutan-2-amine
CID 114929481
1-(4-ethylazepan-1-yl)-4-phenylbutan-2-amine
CID 114929756
4-phenyl-1-(4-propylpiperidin-1-yl)butan-2-amine
CID 114929692
4-phenyl-1-piperidin-1-ylbutan-2-ol
CID 57323966
4-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)butan-2-amine
CID 114929839
1-(2-cyclopentylpyrrolidin-1-yl)-4-phenylbutan-2-amine
CID 114929669
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-phenylbutan-2-amine
CID 114929545
1-(3,4-dihydro-2H-quinolin-1-yl)-4-phenylbutan-2-amine
CID 114929496
1,4-diphenylbutan-2-amine
CID 60820174

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-pyrrolidin-1-ylbutan-2-amine?
The IUPAC name of 4-phenyl-1-pyrrolidin-1-ylbutan-2-amine (CID 114929475) is 4-phenyl-1-pyrrolidin-1-ylbutan-2-amine.
What is the SMILES notation for 4-phenyl-1-pyrrolidin-1-ylbutan-2-amine?
The canonical SMILES for 4-phenyl-1-pyrrolidin-1-ylbutan-2-amine is NC(CCc1ccccc1)CN1CCCC1.
What is the InChIKey of 4-phenyl-1-pyrrolidin-1-ylbutan-2-amine?
The InChIKey is QZKKYJQGLBJDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c15-14(12-16-10-4-5-11-16)9-8-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12,15H2.
What are the key properties of 4-phenyl-1-pyrrolidin-1-ylbutan-2-amine?
4-phenyl-1-pyrrolidin-1-ylbutan-2-amine has a molecular weight of 218.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-pyrrolidin-1-ylbutan-2-amine is sourced from PubChem (CID 114929475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).