4-(3,3-difluorocyclohexyl)-N-(2-methoxyethyl)-3-methylbutan-2-amine

C14H27F2NO — CID 114225157

IUPAC4-(3,3-difluorocyclohexyl)-N-(2-methoxyethyl)-3-methylbutan-2-amine
SMILESCOCCNC(C)C(C)CC1CCCC(F)(F)C1
InChIInChI=1S/C14H27F2NO/c1-11(12(2)17-7-8-18-3)9-13-5-4-6-14(15,16)10-13/h11-13,17H,4-10H2,1-3H3
InChIKeyZVZCTTACBCXZIF-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.46
Rot. Bonds7

About 4-(3,3-difluorocyclohexyl)-N-(2-methoxyethyl)-3-methylbutan-2-amine

4-(3,3-difluorocyclohexyl)-N-(2-methoxyethyl)-3-methylbutan-2-amine (PubChem CID 114225157) has the molecular formula C14H27F2NO and a molecular weight of 263.37 g/mol. Its IUPAC name is 4-(3,3-difluorocyclohexyl)-N-(2-methoxyethyl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name4-(3,3-difluorocyclohexyl)-N-(2-methoxyethyl)-3-methylbutan-2-amine
PubChem CID114225157
Molecular FormulaC14H27F2NO
Molecular Weight263.37 g/mol
Exact Mass263.21
IUPAC Name4-(3,3-difluorocyclohexyl)-N-(2-methoxyethyl)-3-methylbutan-2-amine
SMILESCOCCNC(C)C(C)CC1CCCC(F)(F)C1
InChIInChI=1S/C14H27F2NO/c1-11(12(2)17-7-8-18-3)9-13-5-4-6-14(15,16)10-13/h11-13,17H,4-10H2,1-3H3
InChIKeyZVZCTTACBCXZIF-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.46
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-(3,3-difluorocyclohexyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 114225502
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
3-(2-chloro-3-methylbutyl)-1,1-difluorocyclohexane
CID 130487710
2-(3,3-difluorocyclohexyl)-1-(1-methoxycyclobutyl)ethanamine
CID 114224934
1-(3,3-difluorocyclohexyl)-N-ethyl-3-propoxypropan-2-amine
CID 114224804
3-(2-chlorobutyl)-1,1-difluorocyclohexane
CID 126974576
1-(3,3-difluorocyclopentyl)-N-ethyl-5-methoxypentan-2-amine
CID 114224838
1-(3,3-difluorocyclohexyl)-3-methylheptan-2-amine
CID 114246637
[1-(3,3-difluorocyclohexyl)-3-ethoxyhexan-2-yl]hydrazine
CID 114225995
1-(2-methoxyethylamino)-3-(2-methylpropyl)cyclohexane-1-carbonitrile
CID 107429246
4-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 114225307
3-cyclohexyl-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 62725662

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluorocyclohexyl)-N-(2-methoxyethyl)-3-methylbutan-2-amine?
The IUPAC name of 4-(3,3-difluorocyclohexyl)-N-(2-methoxyethyl)-3-methylbutan-2-amine (CID 114225157) is 4-(3,3-difluorocyclohexyl)-N-(2-methoxyethyl)-3-methylbutan-2-amine.
What is the SMILES notation for 4-(3,3-difluorocyclohexyl)-N-(2-methoxyethyl)-3-methylbutan-2-amine?
The canonical SMILES for 4-(3,3-difluorocyclohexyl)-N-(2-methoxyethyl)-3-methylbutan-2-amine is COCCNC(C)C(C)CC1CCCC(F)(F)C1.
What is the InChIKey of 4-(3,3-difluorocyclohexyl)-N-(2-methoxyethyl)-3-methylbutan-2-amine?
The InChIKey is ZVZCTTACBCXZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2NO/c1-11(12(2)17-7-8-18-3)9-13-5-4-6-14(15,16)10-13/h11-13,17H,4-10H2,1-3H3.
What are the key properties of 4-(3,3-difluorocyclohexyl)-N-(2-methoxyethyl)-3-methylbutan-2-amine?
4-(3,3-difluorocyclohexyl)-N-(2-methoxyethyl)-3-methylbutan-2-amine has a molecular weight of 263.37 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluorocyclohexyl)-N-(2-methoxyethyl)-3-methylbutan-2-amine is sourced from PubChem (CID 114225157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).