N-(2-methoxycyclopentyl)-4-nitroaniline

C12H16N2O3 — CID 62086642

IUPACN-(2-methoxycyclopentyl)-4-nitroaniline
SMILESCOC1CCCC1Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H16N2O3/c1-17-12-4-2-3-11(12)13-9-5-7-10(8-6-9)14(15)16/h5-8,11-13H,2-4H2,1H3
InChIKeyTVQGVUJDNXIQTI-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.57
Rot. Bonds4

About N-(2-methoxycyclopentyl)-4-nitroaniline

N-(2-methoxycyclopentyl)-4-nitroaniline (PubChem CID 62086642) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(2-methoxycyclopentyl)-4-nitroaniline.

Molecular Properties

Compound NameN-(2-methoxycyclopentyl)-4-nitroaniline
PubChem CID62086642
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-(2-methoxycyclopentyl)-4-nitroaniline
SMILESCOC1CCCC1Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H16N2O3/c1-17-12-4-2-3-11(12)13-9-5-7-10(8-6-9)14(15)16/h5-8,11-13H,2-4H2,1H3
InChIKeyTVQGVUJDNXIQTI-UHFFFAOYSA-N
XLogP2.57
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
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

N-(2-methoxycyclopentyl)-2-methyl-5-nitroaniline
CID 62589032
N-(2-methoxycyclopentyl)-4-methylsulfonylaniline
CID 55033416
N-(2-methylcyclohexyl)-4-nitroaniline
CID 43079076
4-chloro-N-(2-methoxycyclohexyl)-3-nitroaniline
CID 43785754
4-fluoro-N-(2-methoxycyclohexyl)-3-nitroaniline
CID 43785721
2-methoxy-N-[2-(4-nitrophenoxy)ethyl]cyclopentan-1-amine
CID 62086600
cis-(2R,6S)-2-methoxy-6-(4-nitroanilino)cyclohexan-1-one
CID 9437050
2-[(2-methoxycyclopentyl)amino]-1-(4-nitrophenyl)ethanol
CID 115344969
(2-methoxycyclopentyl) 4-nitrobenzenesulfonate
CID 175123740
[(1S,2S)-2-methoxycyclopentyl] 4-nitrobenzenesulfonate
CID 150313419
N-cyclopropyl-4-[(2-methoxycyclopentyl)amino]benzenesulfonamide
CID 62087885
methyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate
CID 43788003

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclopentyl)-4-nitroaniline?
The IUPAC name of N-(2-methoxycyclopentyl)-4-nitroaniline (CID 62086642) is N-(2-methoxycyclopentyl)-4-nitroaniline.
What is the SMILES notation for N-(2-methoxycyclopentyl)-4-nitroaniline?
The canonical SMILES for N-(2-methoxycyclopentyl)-4-nitroaniline is COC1CCCC1Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-methoxycyclopentyl)-4-nitroaniline?
The InChIKey is TVQGVUJDNXIQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-17-12-4-2-3-11(12)13-9-5-7-10(8-6-9)14(15)16/h5-8,11-13H,2-4H2,1H3.
What are the key properties of N-(2-methoxycyclopentyl)-4-nitroaniline?
N-(2-methoxycyclopentyl)-4-nitroaniline has a molecular weight of 236.27 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclopentyl)-4-nitroaniline is sourced from PubChem (CID 62086642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).