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

C10H20FNO — CID 167167698

IUPAC4-fluoro-N-(propan-2-yloxymethyl)cyclohexan-1-amine
SMILESCC(C)OCNC1CCC(F)CC1
InChIInChI=1S/C10H20FNO/c1-8(2)13-7-12-10-5-3-9(11)4-6-10/h8-10,12H,3-7H2,1-2H3
InChIKeyHMUAHWCXKMQZMQ-UHFFFAOYSA-N
MW189.27 g/mol
LogP2.24
Rot. Bonds4

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

4-fluoro-N-(propan-2-yloxymethyl)cyclohexan-1-amine (PubChem CID 167167698) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 4-fluoro-N-(propan-2-yloxymethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-fluoro-N-(propan-2-yloxymethyl)cyclohexan-1-amine
PubChem CID167167698
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name4-fluoro-N-(propan-2-yloxymethyl)cyclohexan-1-amine
SMILESCC(C)OCNC1CCC(F)CC1
InChIInChI=1S/C10H20FNO/c1-8(2)13-7-12-10-5-3-9(11)4-6-10/h8-10,12H,3-7H2,1-2H3
InChIKeyHMUAHWCXKMQZMQ-UHFFFAOYSA-N
XLogP2.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(propan-2-yloxymethyl)cyclohexan-1-amine?
The IUPAC name of 4-fluoro-N-(propan-2-yloxymethyl)cyclohexan-1-amine (CID 167167698) is 4-fluoro-N-(propan-2-yloxymethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-fluoro-N-(propan-2-yloxymethyl)cyclohexan-1-amine?
The canonical SMILES for 4-fluoro-N-(propan-2-yloxymethyl)cyclohexan-1-amine is CC(C)OCNC1CCC(F)CC1.
What is the InChIKey of 4-fluoro-N-(propan-2-yloxymethyl)cyclohexan-1-amine?
The InChIKey is HMUAHWCXKMQZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-8(2)13-7-12-10-5-3-9(11)4-6-10/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 4-fluoro-N-(propan-2-yloxymethyl)cyclohexan-1-amine?
4-fluoro-N-(propan-2-yloxymethyl)cyclohexan-1-amine has a molecular weight of 189.27 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(propan-2-yloxymethyl)cyclohexan-1-amine is sourced from PubChem (CID 167167698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).