5-chloro-2-methyl-N-[(2-methylcyclopentyl)methyl]-4-nitroaniline

C14H19ClN2O2 — CID 107419302

IUPAC5-chloro-2-methyl-N-[(2-methylcyclopentyl)methyl]-4-nitroaniline
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NCC1CCCC1C
InChIInChI=1S/C14H19ClN2O2/c1-9-4-3-5-11(9)8-16-13-7-12(15)14(17(18)19)6-10(13)2/h6-7,9,11,16H,3-5,8H2,1-2H3
InChIKeyYZMMFTDGTRLACW-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.40
Rot. Bonds4

About 5-chloro-2-methyl-N-[(2-methylcyclopentyl)methyl]-4-nitroaniline

5-chloro-2-methyl-N-[(2-methylcyclopentyl)methyl]-4-nitroaniline (PubChem CID 107419302) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[(2-methylcyclopentyl)methyl]-4-nitroaniline.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[(2-methylcyclopentyl)methyl]-4-nitroaniline
PubChem CID107419302
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name5-chloro-2-methyl-N-[(2-methylcyclopentyl)methyl]-4-nitroaniline
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NCC1CCCC1C
InChIInChI=1S/C14H19ClN2O2/c1-9-4-3-5-11(9)8-16-13-7-12(15)14(17(18)19)6-10(13)2/h6-7,9,11,16H,3-5,8H2,1-2H3
InChIKeyYZMMFTDGTRLACW-UHFFFAOYSA-N
XLogP4.40
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4,5-dichloro-N-[(2-methylcyclopentyl)methyl]-2-nitroaniline
CID 107419088
5-chloro-N-(cycloheptylmethyl)-2-methyl-4-nitroaniline
CID 104667823
5-chloro-N-(2-ethylcyclohexyl)-2-methyl-4-nitroaniline
CID 115555784
5-chloro-N-(1,4-dioxan-2-ylmethyl)-2-methyl-4-nitroaniline
CID 115555745
2-chloro-N-[(2-methylcyclohexyl)methyl]-6-nitroaniline
CID 55224392
4-[(2-methylcyclopentyl)methylamino]-3-nitrobenzonitrile
CID 107419187
N-(5-chloro-2-methyl-4-nitrophenyl)cyclooctanamine
CID 115555651
N'-(5-chloro-2-methyl-4-nitrophenyl)-N-methylethane-1,2-diamine
CID 115556069
2-fluoro-4-[(2-methylcyclopentyl)methylamino]-5-nitrobenzoic acid
CID 107419006
3-(5-chloro-2-methyl-4-nitroanilino)-N-cyclopropylpropanamide
CID 115555993
5-chloro-N-(3-ethylcyclohexyl)-2-methyl-4-nitroaniline
CID 115555954
6-[(2-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one
CID 107419063

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[(2-methylcyclopentyl)methyl]-4-nitroaniline?
The IUPAC name of 5-chloro-2-methyl-N-[(2-methylcyclopentyl)methyl]-4-nitroaniline (CID 107419302) is 5-chloro-2-methyl-N-[(2-methylcyclopentyl)methyl]-4-nitroaniline.
What is the SMILES notation for 5-chloro-2-methyl-N-[(2-methylcyclopentyl)methyl]-4-nitroaniline?
The canonical SMILES for 5-chloro-2-methyl-N-[(2-methylcyclopentyl)methyl]-4-nitroaniline is Cc1cc([N+](=O)[O-])c(Cl)cc1NCC1CCCC1C.
What is the InChIKey of 5-chloro-2-methyl-N-[(2-methylcyclopentyl)methyl]-4-nitroaniline?
The InChIKey is YZMMFTDGTRLACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-9-4-3-5-11(9)8-16-13-7-12(15)14(17(18)19)6-10(13)2/h6-7,9,11,16H,3-5,8H2,1-2H3.
What are the key properties of 5-chloro-2-methyl-N-[(2-methylcyclopentyl)methyl]-4-nitroaniline?
5-chloro-2-methyl-N-[(2-methylcyclopentyl)methyl]-4-nitroaniline has a molecular weight of 282.77 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[(2-methylcyclopentyl)methyl]-4-nitroaniline is sourced from PubChem (CID 107419302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).