2-[4-(benzylamino)phenyl]-1-pyrrolidin-1-ylethanone

C19H22N2O — CID 42852689

IUPAC2-[4-(benzylamino)phenyl]-1-pyrrolidin-1-ylethanone
SMILESO=C(Cc1ccc(NCc2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C19H22N2O/c22-19(21-12-4-5-13-21)14-16-8-10-18(11-9-16)20-15-17-6-2-1-3-7-17/h1-3,6-11,20H,4-5,12-15H2
InChIKeyICDQGPQSVRZXEM-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.46
Rot. Bonds5

About 2-[4-(benzylamino)phenyl]-1-pyrrolidin-1-ylethanone

2-[4-(benzylamino)phenyl]-1-pyrrolidin-1-ylethanone (PubChem CID 42852689) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[4-(benzylamino)phenyl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(benzylamino)phenyl]-1-pyrrolidin-1-ylethanone
PubChem CID42852689
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-[4-(benzylamino)phenyl]-1-pyrrolidin-1-ylethanone
SMILESO=C(Cc1ccc(NCc2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C19H22N2O/c22-19(21-12-4-5-13-21)14-16-8-10-18(11-9-16)20-15-17-6-2-1-3-7-17/h1-3,6-11,20H,4-5,12-15H2
InChIKeyICDQGPQSVRZXEM-UHFFFAOYSA-N
XLogP3.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(4-chlorophenyl)methylamino]phenyl]-1-piperidin-1-ylethanone
CID 170159866
1-benzyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea
CID 38953906
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
N-phenyl-4-(2-phenylacetyl)-1,4-diazepane-1-carboxamide
CID 110811558
1-(4-acetyl-1,4-diazepan-1-yl)-2-phenylethanone
CID 44603156
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 113005998
1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-[4-[(4-fluorophenyl)methylamino]phenyl]ethanone
CID 170160383
2-[4-[(4-chlorophenyl)methylamino]phenyl]-1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 170160022
N-benzyl-4-pyrrolidin-1-ylaniline
CID 918774
1-pyrrolidin-1-yl-2-(4-sulfanylphenyl)ethanone
CID 107019336
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 110364750
4-[4-(benzylamino)phenyl]sulfonylbenzoic acid
CID 21178236

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzylamino)phenyl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-(benzylamino)phenyl]-1-pyrrolidin-1-ylethanone (CID 42852689) is 2-[4-(benzylamino)phenyl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-(benzylamino)phenyl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-(benzylamino)phenyl]-1-pyrrolidin-1-ylethanone is O=C(Cc1ccc(NCc2ccccc2)cc1)N1CCCC1.
What is the InChIKey of 2-[4-(benzylamino)phenyl]-1-pyrrolidin-1-ylethanone?
The InChIKey is ICDQGPQSVRZXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c22-19(21-12-4-5-13-21)14-16-8-10-18(11-9-16)20-15-17-6-2-1-3-7-17/h1-3,6-11,20H,4-5,12-15H2.
What are the key properties of 2-[4-(benzylamino)phenyl]-1-pyrrolidin-1-ylethanone?
2-[4-(benzylamino)phenyl]-1-pyrrolidin-1-ylethanone has a molecular weight of 294.40 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzylamino)phenyl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 42852689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).