5-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-nitroaniline

C14H17ClN2O2 — CID 106177686

IUPAC5-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-nitroaniline
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NCCC1=CCCC1
InChIInChI=1S/C14H17ClN2O2/c1-10-8-14(17(18)19)12(15)9-13(10)16-7-6-11-4-2-3-5-11/h4,8-9,16H,2-3,5-7H2,1H3
InChIKeyMTIAVELETKHPCF-UHFFFAOYSA-N
MW280.75 g/mol
LogP4.47
Rot. Bonds5

About 5-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-nitroaniline

5-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-nitroaniline (PubChem CID 106177686) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 5-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-nitroaniline.

Molecular Properties

Compound Name5-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-nitroaniline
PubChem CID106177686
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name5-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-nitroaniline
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NCCC1=CCCC1
InChIInChI=1S/C14H17ClN2O2/c1-10-8-14(17(18)19)12(15)9-13(10)16-7-6-11-4-2-3-5-11/h4,8-9,16H,2-3,5-7H2,1H3
InChIKeyMTIAVELETKHPCF-UHFFFAOYSA-N
XLogP4.47
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-methyl-4-nitro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]aniline
CID 107489503
N'-(5-chloro-2-methyl-4-nitrophenyl)-N-methylethane-1,2-diamine
CID 115556069
5-chloro-2-methyl-4-nitro-N-(2-phenylethyl)aniline
CID 115555657
5-chloro-N-[2-(cyclohexen-1-yl)ethyl]-2-nitroaniline
CID 115469617
5-chloro-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-nitroaniline
CID 115555653
4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-5-fluoro-2-nitroaniline
CID 106177521
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dimethyl-5-nitroanilino)acetamide
CID 112770379
5-chloro-N-[(2,5-dimethylphenyl)methyl]-2-methyl-4-nitroaniline
CID 104667941
2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]-4-nitroaniline
CID 106891456
4-(5-chloro-2-methyl-4-nitroanilino)butanamide
CID 115555717
5-chloro-N-(cycloheptylmethyl)-2-methyl-4-nitroaniline
CID 104667823
N-[2-(cyclopenten-1-yl)ethyl]-1-methyl-4-nitropyrazol-3-amine
CID 106177711

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-nitroaniline?
The IUPAC name of 5-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-nitroaniline (CID 106177686) is 5-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-nitroaniline.
What is the SMILES notation for 5-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-nitroaniline?
The canonical SMILES for 5-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-nitroaniline is Cc1cc([N+](=O)[O-])c(Cl)cc1NCCC1=CCCC1.
What is the InChIKey of 5-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-nitroaniline?
The InChIKey is MTIAVELETKHPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-10-8-14(17(18)19)12(15)9-13(10)16-7-6-11-4-2-3-5-11/h4,8-9,16H,2-3,5-7H2,1H3.
What are the key properties of 5-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-nitroaniline?
5-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-nitroaniline has a molecular weight of 280.75 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-methyl-4-nitroaniline is sourced from PubChem (CID 106177686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).