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

C12H24FNO — CID 164787017

IUPAC4-fluoro-4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
SMILESCC(C)OCCNC1CCC(C)(F)CC1
InChIInChI=1S/C12H24FNO/c1-10(2)15-9-8-14-11-4-6-12(3,13)7-5-11/h10-11,14H,4-9H2,1-3H3
InChIKeyXKDIWZHXTXUYJB-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.67
Rot. Bonds5

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

4-fluoro-4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine (PubChem CID 164787017) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is 4-fluoro-4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
PubChem CID164787017
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name4-fluoro-4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
SMILESCC(C)OCCNC1CCC(C)(F)CC1
InChIInChI=1S/C12H24FNO/c1-10(2)15-9-8-14-11-4-6-12(3,13)7-5-11/h10-11,14H,4-9H2,1-3H3
InChIKeyXKDIWZHXTXUYJB-UHFFFAOYSA-N
XLogP2.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
CID 60690321
1-[4-(2-propan-2-yloxyethylamino)piperidin-1-yl]ethanone
CID 115574825
N-(3-propan-2-yloxypropyl)cycloheptanamine
CID 28726587
1-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine
CID 61485081
3-(cyclopropylamino)-N-(2-propan-2-yloxyethyl)propanamide
CID 104761100
3-ethoxy-2,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine
CID 104584738
3-methyl-3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine
CID 116539626
2,2-dimethyl-3-(2-propan-2-yloxyethylamino)cyclobutan-1-ol
CID 104584797
1-fluoro-1-methyl-3-(propan-2-yloxymethyl)cyclopentane
CID 121387179
N-cyclohexyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 80709224
2-[2-[(4,4-dimethylcyclohexyl)amino]ethoxy]acetamide
CID 106235196
N-(2-pentan-2-yloxyethyl)cyclopentanamine
CID 102987392

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine?
The IUPAC name of 4-fluoro-4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine (CID 164787017) is 4-fluoro-4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-fluoro-4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine?
The canonical SMILES for 4-fluoro-4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine is CC(C)OCCNC1CCC(C)(F)CC1.
What is the InChIKey of 4-fluoro-4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine?
The InChIKey is XKDIWZHXTXUYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-10(2)15-9-8-14-11-4-6-12(3,13)7-5-11/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 4-fluoro-4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine?
4-fluoro-4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine has a molecular weight of 217.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine is sourced from PubChem (CID 164787017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).