N-[[4-(2-aminoethyl)phenyl]methyl]pyrrolidine-1-carboxamide

C14H21N3O — CID 79161738

IUPACN-[[4-(2-aminoethyl)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESNCCc1ccc(CNC(=O)N2CCCC2)cc1
InChIInChI=1S/C14H21N3O/c15-8-7-12-3-5-13(6-4-12)11-16-14(18)17-9-1-2-10-17/h3-6H,1-2,7-11,15H2,(H,16,18)
InChIKeyLBPDSICKNHIBNQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.49
Rot. Bonds4

About N-[[4-(2-aminoethyl)phenyl]methyl]pyrrolidine-1-carboxamide

N-[[4-(2-aminoethyl)phenyl]methyl]pyrrolidine-1-carboxamide (PubChem CID 79161738) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[[4-(2-aminoethyl)phenyl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-aminoethyl)phenyl]methyl]pyrrolidine-1-carboxamide
PubChem CID79161738
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[[4-(2-aminoethyl)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESNCCc1ccc(CNC(=O)N2CCCC2)cc1
InChIInChI=1S/C14H21N3O/c15-8-7-12-3-5-13(6-4-12)11-16-14(18)17-9-1-2-10-17/h3-6H,1-2,7-11,15H2,(H,16,18)
InChIKeyLBPDSICKNHIBNQ-UHFFFAOYSA-N
XLogP1.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-aminophenyl)methyl]pyrrolidine-1-carboxamide
CID 79161211
[5-[4-[[4-(2-aminoethyl)phenyl]methylcarbamoyl]piperazine-1-carbonyl]oxycyclooctyl] 4-[[4-(2-aminoethyl)phenyl]methylcarbamoyl]piperazine-1-carboxylate
CID 18397349
N-benzylazonane-1-carboxamide
CID 130689649
N-(pyridin-4-ylmethyl)azepane-1-carboxamide
CID 110706356
N-[(4-carbamimidoylphenyl)methyl]piperidine-1-carboxamide
CID 79155826
N-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide
CID 65022816
N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 86984501
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-1-carboxamide
CID 79155872
4-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 108867667
N-[(4-aminophenyl)methyl]-4-methylpiperidine-1-carboxamide
CID 79160564
N-[(4-hydroxy-3-methoxyphenyl)methyl]azocane-1-carboxamide
CID 121497136
N-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide
CID 23933937

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]pyrrolidine-1-carboxamide (CID 79161738) is N-[[4-(2-aminoethyl)phenyl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[4-(2-aminoethyl)phenyl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[4-(2-aminoethyl)phenyl]methyl]pyrrolidine-1-carboxamide is NCCc1ccc(CNC(=O)N2CCCC2)cc1.
What is the InChIKey of N-[[4-(2-aminoethyl)phenyl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is LBPDSICKNHIBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-8-7-12-3-5-13(6-4-12)11-16-14(18)17-9-1-2-10-17/h3-6H,1-2,7-11,15H2,(H,16,18).
What are the key properties of N-[[4-(2-aminoethyl)phenyl]methyl]pyrrolidine-1-carboxamide?
N-[[4-(2-aminoethyl)phenyl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoethyl)phenyl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 79161738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).