1-(3,5-dimethoxyphenyl)-N-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine

C19H23N3O4 — CID 133357093

IUPAC1-(3,5-dimethoxyphenyl)-N-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
SMILESCOc1cc(OC)cc(N2CCC(Nc3ccc(C)cc3[N+](=O)[O-])C2)c1
InChIInChI=1S/C19H23N3O4/c1-13-4-5-18(19(8-13)22(23)24)20-14-6-7-21(12-14)15-9-16(25-2)11-17(10-15)26-3/h4-5,8-11,14,20H,6-7,12H2,1-3H3
InChIKeyICZIQMKYHGMXFW-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.61
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-N-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine

1-(3,5-dimethoxyphenyl)-N-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine (PubChem CID 133357093) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-N-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-N-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
PubChem CID133357093
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name1-(3,5-dimethoxyphenyl)-N-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
SMILESCOc1cc(OC)cc(N2CCC(Nc3ccc(C)cc3[N+](=O)[O-])C2)c1
InChIInChI=1S/C19H23N3O4/c1-13-4-5-18(19(8-13)22(23)24)20-14-6-7-21(12-14)15-9-16(25-2)11-17(10-15)26-3/h4-5,8-11,14,20H,6-7,12H2,1-3H3
InChIKeyICZIQMKYHGMXFW-UHFFFAOYSA-N
XLogP3.61
TPSA76.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-5-(4-methyl-2-nitroanilino)piperidin-2-one
CID 64667803
N-methyl-3-nitro-4-[(1-phenylpyrrolidin-3-yl)amino]benzenesulfonamide
CID 133292246
N-methyl-1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
CID 115300885
methyl 4-(4-methyl-2-nitroanilino)cyclohexane-1-carboxylate
CID 115671751
[4-(4-methyl-2-nitroanilino)piperidin-1-yl]-(4-methylphenyl)methanone
CID 133389526
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-(4-methylphenyl)tetrazol-5-amine
CID 133357170
2-[4-(4-methoxy-2-nitroanilino)piperidin-1-yl]acetonitrile
CID 63625912
(6S)-2-methyl-N-(4-methyl-2-nitrophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
CID 97241483
2-(4-methyl-2-nitroanilino)oxane-3,4,5-triol
CID 2848735
4-(4-methoxy-2-nitroanilino)cyclohexane-1-carboxylic acid
CID 60808258
1-(5-methoxy-2-methylphenyl)-2-(4-methyl-2-nitrophenyl)hydrazine
CID 177028501
N-(4-methyl-2-nitrophenyl)thian-3-amine
CID 55129449

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-N-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-N-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine (CID 133357093) is 1-(3,5-dimethoxyphenyl)-N-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-N-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-N-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine is COc1cc(OC)cc(N2CCC(Nc3ccc(C)cc3[N+](=O)[O-])C2)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-N-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine?
The InChIKey is ICZIQMKYHGMXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-13-4-5-18(19(8-13)22(23)24)20-14-6-7-21(12-14)15-9-16(25-2)11-17(10-15)26-3/h4-5,8-11,14,20H,6-7,12H2,1-3H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-N-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine?
1-(3,5-dimethoxyphenyl)-N-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine has a molecular weight of 357.41 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-N-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 133357093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).