1-[4-(methylamino)phenyl]pyrrolidin-3-amine

C11H17N3 — CID 89019362

IUPAC1-[4-(methylamino)phenyl]pyrrolidin-3-amine
SMILESCNc1ccc(N2CCC(N)C2)cc1
InChIInChI=1S/C11H17N3/c1-13-10-2-4-11(5-3-10)14-7-6-9(12)8-14/h2-5,9,13H,6-8,12H2,1H3
InChIKeyIKZOQWDRAQWLQM-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.27
Rot. Bonds2

About 1-[4-(methylamino)phenyl]pyrrolidin-3-amine

1-[4-(methylamino)phenyl]pyrrolidin-3-amine (PubChem CID 89019362) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-[4-(methylamino)phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[4-(methylamino)phenyl]pyrrolidin-3-amine
PubChem CID89019362
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-[4-(methylamino)phenyl]pyrrolidin-3-amine
SMILESCNc1ccc(N2CCC(N)C2)cc1
InChIInChI=1S/C11H17N3/c1-13-10-2-4-11(5-3-10)14-7-6-9(12)8-14/h2-5,9,13H,6-8,12H2,1H3
InChIKeyIKZOQWDRAQWLQM-UHFFFAOYSA-N
XLogP1.27
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(methylamino)phenyl]piperidin-3-amine
CID 171622540
(3R)-1-(4-methylphenyl)pyrrolidin-3-amine
CID 93285995
1-(4-tert-butylphenyl)pyrrolidin-3-amine
CID 43314959
(3S)-1-(4-bromophenyl)pyrrolidin-3-amine
CID 51663654
(3R)-1-(4-bromophenyl)pyrrolidin-3-amine
CID 51663652
1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidin-3-amine
CID 59229868
(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-amine
CID 93285656
(3R)-1-phenylpyrrolidin-3-amine
CID 51663648
4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylaniline
CID 169149133
(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 18725667
1-(4-ethoxyphenyl)pyrrolidin-3-amine
CID 43314939
1-pyridin-4-ylpyrrolidin-3-amine;dihydrochloride
CID 91623879

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)phenyl]pyrrolidin-3-amine?
The IUPAC name of 1-[4-(methylamino)phenyl]pyrrolidin-3-amine (CID 89019362) is 1-[4-(methylamino)phenyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[4-(methylamino)phenyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[4-(methylamino)phenyl]pyrrolidin-3-amine is CNc1ccc(N2CCC(N)C2)cc1.
What is the InChIKey of 1-[4-(methylamino)phenyl]pyrrolidin-3-amine?
The InChIKey is IKZOQWDRAQWLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-13-10-2-4-11(5-3-10)14-7-6-9(12)8-14/h2-5,9,13H,6-8,12H2,1H3.
What are the key properties of 1-[4-(methylamino)phenyl]pyrrolidin-3-amine?
1-[4-(methylamino)phenyl]pyrrolidin-3-amine has a molecular weight of 191.28 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 89019362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).