(2-amino-3-methylphenyl)-(2-phenylpyrrolidin-1-yl)methanone

C18H20N2O — CID 43575411

IUPAC(2-amino-3-methylphenyl)-(2-phenylpyrrolidin-1-yl)methanone
SMILESCc1cccc(C(=O)N2CCCC2c2ccccc2)c1N
InChIInChI=1S/C18H20N2O/c1-13-7-5-10-15(17(13)19)18(21)20-12-6-11-16(20)14-8-3-2-4-9-14/h2-5,7-10,16H,6,11-12,19H2,1H3
InChIKeyCEWFGDKFRQFOIY-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.55
Rot. Bonds2

About (2-amino-3-methylphenyl)-(2-phenylpyrrolidin-1-yl)methanone

(2-amino-3-methylphenyl)-(2-phenylpyrrolidin-1-yl)methanone (PubChem CID 43575411) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (2-amino-3-methylphenyl)-(2-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-methylphenyl)-(2-phenylpyrrolidin-1-yl)methanone
PubChem CID43575411
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(2-amino-3-methylphenyl)-(2-phenylpyrrolidin-1-yl)methanone
SMILESCc1cccc(C(=O)N2CCCC2c2ccccc2)c1N
InChIInChI=1S/C18H20N2O/c1-13-7-5-10-15(17(13)19)18(21)20-12-6-11-16(20)14-8-3-2-4-9-14/h2-5,7-10,16H,6,11-12,19H2,1H3
InChIKeyCEWFGDKFRQFOIY-UHFFFAOYSA-N
XLogP3.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.55
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

(2-amino-3-methylphenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 61115821
[2-(methylamino)phenyl]-(2-phenylpyrrolidin-1-yl)methanone
CID 61376485
(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110871555
(5-amino-2-methyl-3-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 61039723
2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzamide
CID 141321340
(3-amino-2-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 43575481
6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 86768761
1-(2-amino-3-methylbenzoyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103194157
(5-amino-2-methylphenyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120622196
(2-amino-6-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 43575482
(2,5-dichlorophenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 42934940
(2-hydroxy-3-methoxyphenyl)-(2-phenylazepan-1-yl)methanone
CID 102555243

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methylphenyl)-(2-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-amino-3-methylphenyl)-(2-phenylpyrrolidin-1-yl)methanone (CID 43575411) is (2-amino-3-methylphenyl)-(2-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-amino-3-methylphenyl)-(2-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-amino-3-methylphenyl)-(2-phenylpyrrolidin-1-yl)methanone is Cc1cccc(C(=O)N2CCCC2c2ccccc2)c1N.
What is the InChIKey of (2-amino-3-methylphenyl)-(2-phenylpyrrolidin-1-yl)methanone?
The InChIKey is CEWFGDKFRQFOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-7-5-10-15(17(13)19)18(21)20-12-6-11-16(20)14-8-3-2-4-9-14/h2-5,7-10,16H,6,11-12,19H2,1H3.
What are the key properties of (2-amino-3-methylphenyl)-(2-phenylpyrrolidin-1-yl)methanone?
(2-amino-3-methylphenyl)-(2-phenylpyrrolidin-1-yl)methanone has a molecular weight of 280.37 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methylphenyl)-(2-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 43575411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).