2-(3-aminophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide

C15H23N3O — CID 106590972

IUPAC2-(3-aminophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
SMILESCC(C(=O)NCC1CCN(C)C1)c1cccc(N)c1
InChIInChI=1S/C15H23N3O/c1-11(13-4-3-5-14(16)8-13)15(19)17-9-12-6-7-18(2)10-12/h3-5,8,11-12H,6-7,9-10,16H2,1-2H3,(H,17,19)
InChIKeyVRLZRGLRUDIZNF-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.44
Rot. Bonds4

About 2-(3-aminophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide

2-(3-aminophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide (PubChem CID 106590972) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
PubChem CID106590972
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(3-aminophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
SMILESCC(C(=O)NCC1CCN(C)C1)c1cccc(N)c1
InChIInChI=1S/C15H23N3O/c1-11(13-4-3-5-14(16)8-13)15(19)17-9-12-6-7-18(2)10-12/h3-5,8,11-12H,6-7,9-10,16H2,1-2H3,(H,17,19)
InChIKeyVRLZRGLRUDIZNF-UHFFFAOYSA-N
XLogP1.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]propanamide
CID 106591175
2-(3-aminophenyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 106590880
2-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 106591529
2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide
CID 107162879
2-(3-aminophenyl)-N-(2-cyclopropylpropyl)propanamide
CID 106591805
2-(3-aminophenyl)-N-(3-cyclopentylpropyl)propanamide
CID 106006314
2-(3-aminophenyl)-N-cyclopropylpropanamide
CID 106590663
(2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 61146973
2-(3-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]propanamide
CID 106591402
2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide
CID 106591039
2-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)propanamide
CID 106591180
2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 106591920

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide (CID 106590972) is 2-(3-aminophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide is CC(C(=O)NCC1CCN(C)C1)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
The InChIKey is VRLZRGLRUDIZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(13-4-3-5-14(16)8-13)15(19)17-9-12-6-7-18(2)10-12/h3-5,8,11-12H,6-7,9-10,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(3-aminophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
2-(3-aminophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide has a molecular weight of 261.37 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 106590972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).