2-methyl-N-[(4-methylcyclohexyl)methyl]-4-nitroaniline

C15H22N2O2 — CID 55224775

IUPAC2-methyl-N-[(4-methylcyclohexyl)methyl]-4-nitroaniline
SMILESCc1cc([N+](=O)[O-])ccc1NCC1CCC(C)CC1
InChIInChI=1S/C15H22N2O2/c1-11-3-5-13(6-4-11)10-16-15-8-7-14(17(18)19)9-12(15)2/h7-9,11,13,16H,3-6,10H2,1-2H3
InChIKeyCGRQATWSHZCYNN-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.14
Rot. Bonds4

About 2-methyl-N-[(4-methylcyclohexyl)methyl]-4-nitroaniline

2-methyl-N-[(4-methylcyclohexyl)methyl]-4-nitroaniline (PubChem CID 55224775) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-methyl-N-[(4-methylcyclohexyl)methyl]-4-nitroaniline.

Molecular Properties

Compound Name2-methyl-N-[(4-methylcyclohexyl)methyl]-4-nitroaniline
PubChem CID55224775
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-methyl-N-[(4-methylcyclohexyl)methyl]-4-nitroaniline
SMILESCc1cc([N+](=O)[O-])ccc1NCC1CCC(C)CC1
InChIInChI=1S/C15H22N2O2/c1-11-3-5-13(6-4-11)10-16-15-8-7-14(17(18)19)9-12(15)2/h7-9,11,13,16H,3-6,10H2,1-2H3
InChIKeyCGRQATWSHZCYNN-UHFFFAOYSA-N
XLogP4.14
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.14
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

N-[(1,1-dioxothian-4-yl)methyl]-2-methyl-4-nitroaniline
CID 122132245
N-[(3-methylcyclopentyl)methyl]-4-nitro-2-(trifluoromethyl)aniline
CID 107413783
N-[(4-methylcyclohexyl)methyl]-4-nitropyridin-2-amine
CID 55175056
2-methoxy-4-nitro-N-(piperidin-4-ylmethyl)aniline
CID 79708090
N-(4-ethylcyclohexyl)-2-methyl-4-nitroaniline
CID 43719897
1-N-(cyclobutylmethyl)-4-nitrobenzene-1,2-diamine
CID 62507452
4-[(2-iodo-4-nitroanilino)methyl]cyclohexan-1-ol
CID 106130004
S-[4-[(4-methylcyclohexyl)methylamino]-3-nitrophenyl]thiohydroxylamine
CID 142622471
N-(2-methyl-4-nitrophenyl)-4-propylcycloheptan-1-amine
CID 65086964
N-(3,5-dimethylcyclohexyl)-2-methyl-4-nitroaniline
CID 64750773
N-[(4-methylcyclohexyl)methyl]-5-nitropyrimidin-2-amine
CID 63243364
3-fluoro-N-[(4-methylcyclohexyl)methyl]-5-nitroaniline
CID 55224773

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methylcyclohexyl)methyl]-4-nitroaniline?
The IUPAC name of 2-methyl-N-[(4-methylcyclohexyl)methyl]-4-nitroaniline (CID 55224775) is 2-methyl-N-[(4-methylcyclohexyl)methyl]-4-nitroaniline.
What is the SMILES notation for 2-methyl-N-[(4-methylcyclohexyl)methyl]-4-nitroaniline?
The canonical SMILES for 2-methyl-N-[(4-methylcyclohexyl)methyl]-4-nitroaniline is Cc1cc([N+](=O)[O-])ccc1NCC1CCC(C)CC1.
What is the InChIKey of 2-methyl-N-[(4-methylcyclohexyl)methyl]-4-nitroaniline?
The InChIKey is CGRQATWSHZCYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-3-5-13(6-4-11)10-16-15-8-7-14(17(18)19)9-12(15)2/h7-9,11,13,16H,3-6,10H2,1-2H3.
What are the key properties of 2-methyl-N-[(4-methylcyclohexyl)methyl]-4-nitroaniline?
2-methyl-N-[(4-methylcyclohexyl)methyl]-4-nitroaniline has a molecular weight of 262.35 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methylcyclohexyl)methyl]-4-nitroaniline is sourced from PubChem (CID 55224775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).