(3-aminophenyl)-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone

C16H25N3O — CID 119895929

IUPAC(3-aminophenyl)-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone
SMILESCCCN(C)CC1CCN(C(=O)c2cccc(N)c2)C1
InChIInChI=1S/C16H25N3O/c1-3-8-18(2)11-13-7-9-19(12-13)16(20)14-5-4-6-15(17)10-14/h4-6,10,13H,3,7-9,11-12,17H2,1-2H3
InChIKeyJTGXFMXHNXWYAU-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.07
Rot. Bonds5

About (3-aminophenyl)-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone

(3-aminophenyl)-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone (PubChem CID 119895929) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (3-aminophenyl)-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminophenyl)-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone
PubChem CID119895929
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(3-aminophenyl)-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone
SMILESCCCN(C)CC1CCN(C(=O)c2cccc(N)c2)C1
InChIInChI=1S/C16H25N3O/c1-3-8-18(2)11-13-7-9-19(12-13)16(20)14-5-4-6-15(17)10-14/h4-6,10,13H,3,7-9,11-12,17H2,1-2H3
InChIKeyJTGXFMXHNXWYAU-UHFFFAOYSA-N
XLogP2.07
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-aminophenyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride
CID 119875254
(3-aminophenyl)-(4-ethylpiperidin-1-yl)methanone;hydrochloride
CID 119741661
(3-aminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119843269
(5-amino-2-methylphenyl)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 120647549
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N,N-dipropylbenzamide
CID 119410677
(5-amino-2-methylphenyl)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone;dihydrochloride
CID 120647548
6-[3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]naphthalene-2-carboxylic acid
CID 166289705
(3-aminophenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62885357
N-[[1-(3-aminobenzoyl)piperidin-3-yl]methyl]butanamide;hydrochloride
CID 119761652
(3-aminophenyl)-(2-ethylthiomorpholin-4-yl)methanone;hydrochloride
CID 119791768
N-[1-(3-aminobenzoyl)piperidin-3-yl]butanamide
CID 119761707

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3-aminophenyl)-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone (CID 119895929) is (3-aminophenyl)-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-aminophenyl)-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-aminophenyl)-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone is CCCN(C)CC1CCN(C(=O)c2cccc(N)c2)C1.
What is the InChIKey of (3-aminophenyl)-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone?
The InChIKey is JTGXFMXHNXWYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-8-18(2)11-13-7-9-19(12-13)16(20)14-5-4-6-15(17)10-14/h4-6,10,13H,3,7-9,11-12,17H2,1-2H3.
What are the key properties of (3-aminophenyl)-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone?
(3-aminophenyl)-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 275.40 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119895929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).