N-cyclohexyl-N-methyl-2-nitro-4-(trifluoromethyl)aniline

C14H17F3N2O2 — CID 2921239

IUPACN-cyclohexyl-N-methyl-2-nitro-4-(trifluoromethyl)aniline
SMILESCN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCCCC1
InChIInChI=1S/C14H17F3N2O2/c1-18(11-5-3-2-4-6-11)12-8-7-10(14(15,16)17)9-13(12)19(20)21/h7-9,11H,2-6H2,1H3
InChIKeyNYJYXCBLMACLRK-UHFFFAOYSA-N
MW302.30 g/mol
LogP4.38
Rot. Bonds3

About N-cyclohexyl-N-methyl-2-nitro-4-(trifluoromethyl)aniline

N-cyclohexyl-N-methyl-2-nitro-4-(trifluoromethyl)aniline (PubChem CID 2921239) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-nitro-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-nitro-4-(trifluoromethyl)aniline
PubChem CID2921239
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-cyclohexyl-N-methyl-2-nitro-4-(trifluoromethyl)aniline
SMILESCN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCCCC1
InChIInChI=1S/C14H17F3N2O2/c1-18(11-5-3-2-4-6-11)12-8-7-10(14(15,16)17)9-13(12)19(20)21/h7-9,11H,2-6H2,1H3
InChIKeyNYJYXCBLMACLRK-UHFFFAOYSA-N
XLogP4.38
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 54.38
H-Bond Donors ≤ 50
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

(3R)-N,1-dimethyl-N-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 90752195
1-[4-[cycloheptyl(methyl)amino]-3-nitrophenyl]ethanone
CID 43614140
4-bromo-N-cyclobutyl-N-methyl-2-nitroaniline
CID 115658423
3-[cycloheptyl(methyl)amino]-4-nitrobenzoic acid
CID 82769878
N-(4-fluorophenyl)-2-nitro-N-[2-nitro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)aniline
CID 142770944
N-cyclohexyl-N-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 55334595
2-methyl-2-[N-methyl-2-nitro-4-(trifluoromethyl)anilino]propanoic acid
CID 62818914
N-cyclohexyl-N-methyl-4-nitro-2,1,3-benzoxadiazol-7-amine
CID 3714760
5-[cyclopentyl(methyl)amino]-2-fluoro-4-nitrobenzoic acid
CID 104699642
3-[N-methyl-2-nitro-4-(trifluoromethyl)anilino]propanoic acid
CID 60987310
2-[methyl-[1-[2-nitro-4-(trifluoromethyl)phenyl]azepan-4-yl]amino]acetic acid
CID 122062406
N-cyclohexyl-4-(2-methyl-1-nitrosopropan-2-yl)-N-(2-methylpropyl)-2-nitroaniline
CID 135171635

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-nitro-4-(trifluoromethyl)aniline?
The IUPAC name of N-cyclohexyl-N-methyl-2-nitro-4-(trifluoromethyl)aniline (CID 2921239) is N-cyclohexyl-N-methyl-2-nitro-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-nitro-4-(trifluoromethyl)aniline?
The canonical SMILES for N-cyclohexyl-N-methyl-2-nitro-4-(trifluoromethyl)aniline is CN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-nitro-4-(trifluoromethyl)aniline?
The InChIKey is NYJYXCBLMACLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-18(11-5-3-2-4-6-11)12-8-7-10(14(15,16)17)9-13(12)19(20)21/h7-9,11H,2-6H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-2-nitro-4-(trifluoromethyl)aniline?
N-cyclohexyl-N-methyl-2-nitro-4-(trifluoromethyl)aniline has a molecular weight of 302.30 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-nitro-4-(trifluoromethyl)aniline is sourced from PubChem (CID 2921239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).