2-methyl-4-nitro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline

C16H23N3O2 — CID 79536624

IUPAC2-methyl-4-nitro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
SMILESCc1cc([N+](=O)[O-])ccc1NC1CCCC1C1CCCN1
InChIInChI=1S/C16H23N3O2/c1-11-10-12(19(20)21)7-8-14(11)18-16-5-2-4-13(16)15-6-3-9-17-15/h7-8,10,13,15-18H,2-6,9H2,1H3
InChIKeyRQPUZGIQWLDJPH-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.24
Rot. Bonds4

About 2-methyl-4-nitro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline

2-methyl-4-nitro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline (PubChem CID 79536624) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-methyl-4-nitro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline.

Molecular Properties

Compound Name2-methyl-4-nitro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
PubChem CID79536624
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-methyl-4-nitro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
SMILESCc1cc([N+](=O)[O-])ccc1NC1CCCC1C1CCCN1
InChIInChI=1S/C16H23N3O2/c1-11-10-12(19(20)21)7-8-14(11)18-16-5-2-4-13(16)15-6-3-9-17-15/h7-8,10,13,15-18H,2-6,9H2,1H3
InChIKeyRQPUZGIQWLDJPH-UHFFFAOYSA-N
XLogP3.24
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-nitro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79536425
2-(2-methyl-4-nitroanilino)cyclohexan-1-ol
CID 62359446
2-N-(2-methyl-4-nitrophenyl)cyclohexane-1,2-diamine
CID 54905535
trans-(1R,2R)-2-N-(2-methyl-4-nitrophenyl)cyclohexane-1,2-diamine
CID 93453752
2-methyl-4-nitro-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64757267
N-cyclopentyl-2-methyl-4-nitroaniline
CID 3683454
2-fluoro-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79546014
2,3-dimethyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79546508
N-(3-cyclopropylcyclohexyl)-2-methyl-4-nitroaniline
CID 64594683
2-methoxy-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79536682
N-[2-(difluoromethyl)-4-nitrophenyl]-2-methylpiperidin-3-amine
CID 114695531
2,3-dimethyl-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79545127

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-nitro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The IUPAC name of 2-methyl-4-nitro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline (CID 79536624) is 2-methyl-4-nitro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline.
What is the SMILES notation for 2-methyl-4-nitro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The canonical SMILES for 2-methyl-4-nitro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline is Cc1cc([N+](=O)[O-])ccc1NC1CCCC1C1CCCN1.
What is the InChIKey of 2-methyl-4-nitro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The InChIKey is RQPUZGIQWLDJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-10-12(19(20)21)7-8-14(11)18-16-5-2-4-13(16)15-6-3-9-17-15/h7-8,10,13,15-18H,2-6,9H2,1H3.
What are the key properties of 2-methyl-4-nitro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
2-methyl-4-nitro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline has a molecular weight of 289.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-nitro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline is sourced from PubChem (CID 79536624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).