(3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone

C13H18N2O — CID 60973373

IUPAC(3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCCN1C(=O)c1cccc(N)c1
InChIInChI=1S/C13H18N2O/c1-2-12-7-4-8-15(12)13(16)10-5-3-6-11(14)9-10/h3,5-6,9,12H,2,4,7-8,14H2,1H3
InChIKeyRXXHHTBOWVNPHX-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.28
Rot. Bonds2

About (3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone

(3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone (PubChem CID 60973373) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone
PubChem CID60973373
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCCN1C(=O)c1cccc(N)c1
InChIInChI=1S/C13H18N2O/c1-2-12-7-4-8-15(12)13(16)10-5-3-6-11(14)9-10/h3,5-6,9,12H,2,4,7-8,14H2,1H3
InChIKeyRXXHHTBOWVNPHX-UHFFFAOYSA-N
XLogP2.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793415
(3-aminophenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62885357
(3-bromophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974699
(3-aminophenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 119865869
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 54885699
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
(3-aminophenyl)-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone;dihydrochloride
CID 119897776
N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 60944716
N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119722457
(3-aminophenyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119816945
[4-(aminomethyl)phenyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 55029111

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone (CID 60973373) is (3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone is CCC1CCCN1C(=O)c1cccc(N)c1.
What is the InChIKey of (3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone?
The InChIKey is RXXHHTBOWVNPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-12-7-4-8-15(12)13(16)10-5-3-6-11(14)9-10/h3,5-6,9,12H,2,4,7-8,14H2,1H3.
What are the key properties of (3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone?
(3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone has a molecular weight of 218.30 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 60973373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).