N-[(4-fluorophenyl)methyl]-N-methyl-2-nitrocyclohexan-1-amine

C14H19FN2O2 — CID 22485437

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-2-nitrocyclohexan-1-amine
SMILESCN(Cc1ccc(F)cc1)C1CCCCC1[N+](=O)[O-]
InChIInChI=1S/C14H19FN2O2/c1-16(10-11-6-8-12(15)9-7-11)13-4-2-3-5-14(13)17(18)19/h6-9,13-14H,2-5,10H2,1H3
InChIKeyQDMIBGPCANIXOE-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.85
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-N-methyl-2-nitrocyclohexan-1-amine

N-[(4-fluorophenyl)methyl]-N-methyl-2-nitrocyclohexan-1-amine (PubChem CID 22485437) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-2-nitrocyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-2-nitrocyclohexan-1-amine
PubChem CID22485437
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-2-nitrocyclohexan-1-amine
SMILESCN(Cc1ccc(F)cc1)C1CCCCC1[N+](=O)[O-]
InChIInChI=1S/C14H19FN2O2/c1-16(10-11-6-8-12(15)9-7-11)13-4-2-3-5-14(13)17(18)19/h6-9,13-14H,2-5,10H2,1H3
InChIKeyQDMIBGPCANIXOE-UHFFFAOYSA-N
XLogP2.85
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.85
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

1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclopentane-1,2-diamine
CID 61413397
2-[(4-fluorophenyl)methyl-methylamino]cyclohexane-1-carbonitrile
CID 61412971
6-[(4-fluorophenyl)methyl-methylamino]-2,2-dimethylcyclohexan-1-ol
CID 79835548
N-[(5-fluoro-2-nitrophenyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 112841310
N-methyl-N-[(4-nitrophenyl)methyl]cyclohexanamine
CID 757291
2-[(4-fluorophenyl)methyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042665
2-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine
CID 170991026
1-cyclohexyl-2-[(4-fluorophenyl)methyl-methylamino]ethanol
CID 104752723
2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
CID 115118030
N-methyl-N-[(4-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine
CID 106622922
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 62244773
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-[(4-fluorophenyl)methyl]-N-methylmethanamine
CID 61413648

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-nitrocyclohexan-1-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-nitrocyclohexan-1-amine (CID 22485437) is N-[(4-fluorophenyl)methyl]-N-methyl-2-nitrocyclohexan-1-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-2-nitrocyclohexan-1-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-2-nitrocyclohexan-1-amine is CN(Cc1ccc(F)cc1)C1CCCCC1[N+](=O)[O-].
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-2-nitrocyclohexan-1-amine?
The InChIKey is QDMIBGPCANIXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-16(10-11-6-8-12(15)9-7-11)13-4-2-3-5-14(13)17(18)19/h6-9,13-14H,2-5,10H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-2-nitrocyclohexan-1-amine?
N-[(4-fluorophenyl)methyl]-N-methyl-2-nitrocyclohexan-1-amine has a molecular weight of 266.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-2-nitrocyclohexan-1-amine is sourced from PubChem (CID 22485437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).