(4-amino-5-chloro-2-methoxyphenyl)-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone

C20H23ClN2O2 — CID 119797169

IUPAC(4-amino-5-chloro-2-methoxyphenyl)-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1cc(N)c(Cl)cc1C(=O)N1CC(c2ccccc2C)CC1C
InChIInChI=1S/C20H23ClN2O2/c1-12-6-4-5-7-15(12)14-8-13(2)23(11-14)20(24)16-9-17(21)18(22)10-19(16)25-3/h4-7,9-10,13-14H,8,11,22H2,1-3H3
InChIKeyPMVYJOLSDLRNFM-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.26
Rot. Bonds3

About (4-amino-5-chloro-2-methoxyphenyl)-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone

(4-amino-5-chloro-2-methoxyphenyl)-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone (PubChem CID 119797169) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is (4-amino-5-chloro-2-methoxyphenyl)-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-5-chloro-2-methoxyphenyl)-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone
PubChem CID119797169
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name(4-amino-5-chloro-2-methoxyphenyl)-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1cc(N)c(Cl)cc1C(=O)N1CC(c2ccccc2C)CC1C
InChIInChI=1S/C20H23ClN2O2/c1-12-6-4-5-7-15(12)14-8-13(2)23(11-14)20(24)16-9-17(21)18(22)10-19(16)25-3/h4-7,9-10,13-14H,8,11,22H2,1-3H3
InChIKeyPMVYJOLSDLRNFM-UHFFFAOYSA-N
XLogP4.26
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.26
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

(4-amino-5-chloro-2-methoxyphenyl)-(2-methyl-4-phenylpyrrolidin-1-yl)methanone
CID 119790959
(4-amino-5-chloro-2-methoxyphenyl)-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone
CID 119747137
(4-amino-5-chloro-2-methoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;hydrochloride
CID 119669799
2-amino-1-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 124693064
2-amino-1-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 119331230
(4-amino-5-chloro-2-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone;hydrochloride
CID 119698736
methyl 2-[3-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]furan-2-yl]acetate
CID 124841256
[4-(aminomethyl)phenyl]-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 119331242
(2R)-2-amino-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 124595969
2-amino-2-methyl-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 124693628
[4-(aminomethyl)phenyl]-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119331241
(4-amino-5-chloro-2-methoxyphenyl)-(4-benzyl-5-methyl-1,4-diazepan-1-yl)methanone
CID 119897004

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-chloro-2-methoxyphenyl)-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-amino-5-chloro-2-methoxyphenyl)-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone (CID 119797169) is (4-amino-5-chloro-2-methoxyphenyl)-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-amino-5-chloro-2-methoxyphenyl)-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-amino-5-chloro-2-methoxyphenyl)-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone is COc1cc(N)c(Cl)cc1C(=O)N1CC(c2ccccc2C)CC1C.
What is the InChIKey of (4-amino-5-chloro-2-methoxyphenyl)-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is PMVYJOLSDLRNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-12-6-4-5-7-15(12)14-8-13(2)23(11-14)20(24)16-9-17(21)18(22)10-19(16)25-3/h4-7,9-10,13-14H,8,11,22H2,1-3H3.
What are the key properties of (4-amino-5-chloro-2-methoxyphenyl)-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone?
(4-amino-5-chloro-2-methoxyphenyl)-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 358.87 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-chloro-2-methoxyphenyl)-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119797169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).