N-ethyl-2-[(2-fluoro-3-nitrophenyl)methyl]-4-methylcyclohexan-1-amine

C16H23FN2O2 — CID 107350047

IUPACN-ethyl-2-[(2-fluoro-3-nitrophenyl)methyl]-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1Cc1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C16H23FN2O2/c1-3-18-14-8-7-11(2)9-13(14)10-12-5-4-6-15(16(12)17)19(20)21/h4-6,11,13-14,18H,3,7-10H2,1-2H3
InChIKeyRHYPYEHHBBTOFF-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.69
Rot. Bonds5

About N-ethyl-2-[(2-fluoro-3-nitrophenyl)methyl]-4-methylcyclohexan-1-amine

N-ethyl-2-[(2-fluoro-3-nitrophenyl)methyl]-4-methylcyclohexan-1-amine (PubChem CID 107350047) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-ethyl-2-[(2-fluoro-3-nitrophenyl)methyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(2-fluoro-3-nitrophenyl)methyl]-4-methylcyclohexan-1-amine
PubChem CID107350047
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-ethyl-2-[(2-fluoro-3-nitrophenyl)methyl]-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1Cc1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C16H23FN2O2/c1-3-18-14-8-7-11(2)9-13(14)10-12-5-4-6-15(16(12)17)19(20)21/h4-6,11,13-14,18H,3,7-10H2,1-2H3
InChIKeyRHYPYEHHBBTOFF-UHFFFAOYSA-N
XLogP3.69
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.69
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

2-[(3-chloro-2-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 102856558
N-[(2-fluoro-3-nitrophenyl)methyl]-3-methylcyclopentan-1-amine
CID 107349489
N-ethyl-2-[(3-fluoro-5-nitrophenyl)methyl]-4-methylcyclohexan-1-amine
CID 115980837
1-[(2-chloro-5-propylcyclohexyl)methyl]-2-fluoro-3-nitrobenzene
CID 107350544
2-[(2-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 63403747
2-[(3,5-difluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 105404538
N-[(2-fluoro-3-nitrophenyl)methyl]-1-methylpiperidin-4-amine
CID 107348937
1-(bromomethyl)-2-fluoro-3-nitrobenzene
CID 59139151
[1-[(2-fluoro-3-nitrophenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 107350343
N-[(2-bromo-3-nitrophenyl)methyl]-3-methylcyclopentan-1-amine
CID 114048779
4-ethyl-N-[(2-fluoro-3-nitrophenyl)methyl]-N-methylcyclohexan-1-amine
CID 107348198
1-bromo-2-[(2-fluoro-3-nitrophenyl)methyl]-2,3-dihydro-1H-indene
CID 107350555

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-fluoro-3-nitrophenyl)methyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-ethyl-2-[(2-fluoro-3-nitrophenyl)methyl]-4-methylcyclohexan-1-amine (CID 107350047) is N-ethyl-2-[(2-fluoro-3-nitrophenyl)methyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-[(2-fluoro-3-nitrophenyl)methyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-[(2-fluoro-3-nitrophenyl)methyl]-4-methylcyclohexan-1-amine is CCNC1CCC(C)CC1Cc1cccc([N+](=O)[O-])c1F.
What is the InChIKey of N-ethyl-2-[(2-fluoro-3-nitrophenyl)methyl]-4-methylcyclohexan-1-amine?
The InChIKey is RHYPYEHHBBTOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-3-18-14-8-7-11(2)9-13(14)10-12-5-4-6-15(16(12)17)19(20)21/h4-6,11,13-14,18H,3,7-10H2,1-2H3.
What are the key properties of N-ethyl-2-[(2-fluoro-3-nitrophenyl)methyl]-4-methylcyclohexan-1-amine?
N-ethyl-2-[(2-fluoro-3-nitrophenyl)methyl]-4-methylcyclohexan-1-amine has a molecular weight of 294.37 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-fluoro-3-nitrophenyl)methyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 107350047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).