4-(3-phenylpyrrolidin-1-yl)benzenecarboximidamide

C17H19N3 — CID 62132830

IUPAC4-(3-phenylpyrrolidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(c3ccccc3)C2)cc1
InChIInChI=1S/C17H19N3/c18-17(19)14-6-8-16(9-7-14)20-11-10-15(12-20)13-4-2-1-3-5-13/h1-9,15H,10-12H2,(H3,18,19)
InChIKeyJQNMWMBGOXQHJC-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.96
Rot. Bonds3

About 4-(3-phenylpyrrolidin-1-yl)benzenecarboximidamide

4-(3-phenylpyrrolidin-1-yl)benzenecarboximidamide (PubChem CID 62132830) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-(3-phenylpyrrolidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(3-phenylpyrrolidin-1-yl)benzenecarboximidamide
PubChem CID62132830
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name4-(3-phenylpyrrolidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(c3ccccc3)C2)cc1
InChIInChI=1S/C17H19N3/c18-17(19)14-6-8-16(9-7-14)20-11-10-15(12-20)13-4-2-1-3-5-13/h1-9,15H,10-12H2,(H3,18,19)
InChIKeyJQNMWMBGOXQHJC-UHFFFAOYSA-N
XLogP2.96
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[(3-phenylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 62133576
4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide
CID 103534085
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)benzenecarboximidamide
CID 79938375
(1R)-1-[4-(3-phenylpyrrolidin-1-yl)phenyl]ethanol
CID 78940951
(1R)-1-[4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine
CID 78935368
4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 43188175
4-phenyl-1-(4-pyrrolidin-1-ylphenyl)piperidine
CID 154349377
3-chloro-4-(3-phenylpyrrolidin-1-yl)benzenecarbothioamide
CID 63088319
2-chloro-4-(3-phenylpyrrolidin-1-yl)benzoic acid
CID 62946081
benzenecarboximidamide;sulfane
CID 172701796
2-methyl-4-(3-phenylpyrrolidin-1-yl)benzonitrile
CID 81282496
4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzenecarboximidamide
CID 81465244

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylpyrrolidin-1-yl)benzenecarboximidamide?
The IUPAC name of 4-(3-phenylpyrrolidin-1-yl)benzenecarboximidamide (CID 62132830) is 4-(3-phenylpyrrolidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 4-(3-phenylpyrrolidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 4-(3-phenylpyrrolidin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCC(c3ccccc3)C2)cc1.
What is the InChIKey of 4-(3-phenylpyrrolidin-1-yl)benzenecarboximidamide?
The InChIKey is JQNMWMBGOXQHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c18-17(19)14-6-8-16(9-7-14)20-11-10-15(12-20)13-4-2-1-3-5-13/h1-9,15H,10-12H2,(H3,18,19).
What are the key properties of 4-(3-phenylpyrrolidin-1-yl)benzenecarboximidamide?
4-(3-phenylpyrrolidin-1-yl)benzenecarboximidamide has a molecular weight of 265.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylpyrrolidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 62132830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).