N-[(4-aminophenyl)methyl]pyrrolidin-3-amine

C11H17N3 — CID 19853352

IUPACN-[(4-aminophenyl)methyl]pyrrolidin-3-amine
SMILESNc1ccc(CNC2CCNC2)cc1
InChIInChI=1S/C11H17N3/c12-10-3-1-9(2-4-10)7-14-11-5-6-13-8-11/h1-4,11,13-14H,5-8,12H2
InChIKeyWFRUFXPRDGBKTO-UHFFFAOYSA-N
MW191.28 g/mol
LogP0.72
Rot. Bonds3

About N-[(4-aminophenyl)methyl]pyrrolidin-3-amine

N-[(4-aminophenyl)methyl]pyrrolidin-3-amine (PubChem CID 19853352) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]pyrrolidin-3-amine
PubChem CID19853352
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-[(4-aminophenyl)methyl]pyrrolidin-3-amine
SMILESNc1ccc(CNC2CCNC2)cc1
InChIInChI=1S/C11H17N3/c12-10-3-1-9(2-4-10)7-14-11-5-6-13-8-11/h1-4,11,13-14H,5-8,12H2
InChIKeyWFRUFXPRDGBKTO-UHFFFAOYSA-N
XLogP0.72
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[[(3S)-pyrrolidin-3-yl]amino]methyl]benzonitrile
CID 86331368
N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 79740953
N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine
CID 115118837
N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 22386980
N-[[4-(methylsulfonylmethyl)phenyl]methyl]piperidin-3-amine
CID 138001952
(3R)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 71636735
N-(3H-benzimidazol-5-ylmethyl)pyrrolidin-3-amine
CID 115118875
(3R)-N-(pyridin-4-ylmethyl)piperidin-3-amine;trihydrochloride
CID 53256507
N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)pyrrolidin-3-amine
CID 115118884
6-[(pyrrolidin-3-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115118827
N-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-amine
CID 115118835
N-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-3-amine
CID 115118890

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]pyrrolidin-3-amine (CID 19853352) is N-[(4-aminophenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]pyrrolidin-3-amine is Nc1ccc(CNC2CCNC2)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]pyrrolidin-3-amine?
The InChIKey is WFRUFXPRDGBKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c12-10-3-1-9(2-4-10)7-14-11-5-6-13-8-11/h1-4,11,13-14H,5-8,12H2.
What are the key properties of N-[(4-aminophenyl)methyl]pyrrolidin-3-amine?
N-[(4-aminophenyl)methyl]pyrrolidin-3-amine has a molecular weight of 191.28 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 19853352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).