(4-amino-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone

C14H20N2O — CID 162420392

IUPAC(4-amino-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
SMILESCC(C)c1cc(C(=O)N2CCCC2)ccc1N
InChIInChI=1S/C14H20N2O/c1-10(2)12-9-11(5-6-13(12)15)14(17)16-7-3-4-8-16/h5-6,9-10H,3-4,7-8,15H2,1-2H3
InChIKeyQVTZDXUGIJDANU-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.63
Rot. Bonds2

About (4-amino-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone

(4-amino-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone (PubChem CID 162420392) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (4-amino-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-amino-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
PubChem CID162420392
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(4-amino-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
SMILESCC(C)c1cc(C(=O)N2CCCC2)ccc1N
InChIInChI=1S/C14H20N2O/c1-10(2)12-9-11(5-6-13(12)15)14(17)16-7-3-4-8-16/h5-6,9-10H,3-4,7-8,15H2,1-2H3
InChIKeyQVTZDXUGIJDANU-UHFFFAOYSA-N
XLogP2.63
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-fluoro-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
CID 164882454
(4-amino-3-bromophenyl)-pyrrolidin-1-ylmethanone
CID 54850336
(3-amino-4-hydroxyphenyl)-piperidin-1-ylmethanone
CID 53007694
(3-amino-4-fluorophenyl)-piperidin-1-ylmethanone
CID 39245269
[3-amino-4-(trifluoromethyl)phenyl]-piperidin-1-ylmethanone
CID 138911089
[3-amino-4-(methylamino)phenyl]-piperidin-1-ylmethanone
CID 154253813
[3-amino-4-(3-methylbutylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 100635404
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
[3-amino-4-[[(2S)-pentan-2-yl]amino]phenyl]-pyrrolidin-1-ylmethanone
CID 100635678
1-[4-(4-methoxy-3-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
CID 110761401
(4-amino-3-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103821216
(4-methoxy-3-propan-2-ylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 58015998

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-amino-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone (CID 162420392) is (4-amino-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-amino-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-amino-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone is CC(C)c1cc(C(=O)N2CCCC2)ccc1N.
What is the InChIKey of (4-amino-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is QVTZDXUGIJDANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(2)12-9-11(5-6-13(12)15)14(17)16-7-3-4-8-16/h5-6,9-10H,3-4,7-8,15H2,1-2H3.
What are the key properties of (4-amino-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone?
(4-amino-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 232.33 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 162420392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).