4-fluoro-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine

C11H22FNO — CID 164787018

IUPAC4-fluoro-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
SMILESCC(C)OCCNC1CCC(F)CC1
InChIInChI=1S/C11H22FNO/c1-9(2)14-8-7-13-11-5-3-10(12)4-6-11/h9-11,13H,3-8H2,1-2H3
InChIKeyHVHTYWGARFMCRQ-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.28
Rot. Bonds5

About 4-fluoro-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine

4-fluoro-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine (PubChem CID 164787018) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 4-fluoro-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-fluoro-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
PubChem CID164787018
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name4-fluoro-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
SMILESCC(C)OCCNC1CCC(F)CC1
InChIInChI=1S/C11H22FNO/c1-9(2)14-8-7-13-11-5-3-10(12)4-6-11/h9-11,13H,3-8H2,1-2H3
InChIKeyHVHTYWGARFMCRQ-UHFFFAOYSA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-fluoro-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-Ethyl-propyl)-(2-methoxy-cyclohexyl)-amine
CID 3126341
N-(2-methoxyethyl)cyclohexanamine
CID 12687399
trans-N1-((R)-3,3,3-trifluoro-2-methoxypropyl)cyclohexane-1,4-diamine
CID 66937257
4-N-(3,3,3-trifluoro-2-methoxypropyl)cyclohexane-1,4-diamine
CID 66937259
4-N-(2-ethoxy-3,3,3-trifluoropropyl)cyclohexane-1,4-diamine
CID 123436184
5-fluoro-2-methoxy-N-methylcyclohexan-1-amine
CID 123802071
4,4-difluoro-N-(2-methoxyethyl)cyclohexan-1-amine
CID 146310597
4-N-[(2R)-2-ethoxy-3,3,3-trifluoropropyl]cyclohexane-1,4-diamine
CID 147713380
4-fluoro-4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
CID 164787017
N-(2-ethoxyethyl)-4-fluorocyclohexan-1-amine
CID 167101591
4-fluoro-N-(propan-2-yloxymethyl)cyclohexan-1-amine
CID 167167698
5,5-Difluoro-2-(propan-2-yloxymethyl)piperidine
CID 176568305

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine?
The IUPAC name of 4-fluoro-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine (CID 164787018) is 4-fluoro-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-fluoro-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine?
The canonical SMILES for 4-fluoro-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine is CC(C)OCCNC1CCC(F)CC1.
What is the InChIKey of 4-fluoro-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine?
The InChIKey is HVHTYWGARFMCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-9(2)14-8-7-13-11-5-3-10(12)4-6-11/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 4-fluoro-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine?
4-fluoro-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine has a molecular weight of 203.30 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine is sourced from PubChem (CID 164787018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).