1-(3,3-difluorocyclohexyl)-N-ethyl-3-propoxypropan-2-amine

C14H27F2NO — CID 114224804

IUPAC1-(3,3-difluorocyclohexyl)-N-ethyl-3-propoxypropan-2-amine
SMILESCCCOCC(CC1CCCC(F)(F)C1)NCC
InChIInChI=1S/C14H27F2NO/c1-3-8-18-11-13(17-4-2)9-12-6-5-7-14(15,16)10-12/h12-13,17H,3-11H2,1-2H3
InChIKeyQATBRSFVZRPZAG-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.61
Rot. Bonds8

About 1-(3,3-difluorocyclohexyl)-N-ethyl-3-propoxypropan-2-amine

1-(3,3-difluorocyclohexyl)-N-ethyl-3-propoxypropan-2-amine (PubChem CID 114224804) has the molecular formula C14H27F2NO and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-(3,3-difluorocyclohexyl)-N-ethyl-3-propoxypropan-2-amine.

Molecular Properties

Compound Name1-(3,3-difluorocyclohexyl)-N-ethyl-3-propoxypropan-2-amine
PubChem CID114224804
Molecular FormulaC14H27F2NO
Molecular Weight263.37 g/mol
Exact Mass263.21
IUPAC Name1-(3,3-difluorocyclohexyl)-N-ethyl-3-propoxypropan-2-amine
SMILESCCCOCC(CC1CCCC(F)(F)C1)NCC
InChIInChI=1S/C14H27F2NO/c1-3-8-18-11-13(17-4-2)9-12-6-5-7-14(15,16)10-12/h12-13,17H,3-11H2,1-2H3
InChIKeyQATBRSFVZRPZAG-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.61
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

1-cyclohexyl-3-propoxy-N-propylpropan-2-amine
CID 62605609
1-(3,3-difluorocyclopentyl)-N-ethyl-5-methoxypentan-2-amine
CID 114224838
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
(1-cycloheptyl-3-propoxypropan-2-yl)hydrazine
CID 105321380
4-(3,3-difluorocyclohexyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 114225502
1-(3,3-difluorocyclopentyl)-N-ethyl-5,5-dimethylhexan-2-amine
CID 114224973
4-(3,3-difluorocyclohexyl)-N-(2-methoxyethyl)-3-methylbutan-2-amine
CID 114225157
3-(2-chlorobutyl)-1,1-difluorocyclohexane
CID 126974576
3-(2-chloro-3-methylbutyl)-1,1-difluorocyclohexane
CID 130487710
[1-(3,3-difluorocyclohexyl)-3-ethoxyhexan-2-yl]hydrazine
CID 114225995
1-(3,3-difluorocyclopentyl)-3-methylsulfonyl-N-propylpropan-2-amine
CID 114225773
1,3-dicyclopentyl-N-ethylpropan-2-amine
CID 115847226

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclohexyl)-N-ethyl-3-propoxypropan-2-amine?
The IUPAC name of 1-(3,3-difluorocyclohexyl)-N-ethyl-3-propoxypropan-2-amine (CID 114224804) is 1-(3,3-difluorocyclohexyl)-N-ethyl-3-propoxypropan-2-amine.
What is the SMILES notation for 1-(3,3-difluorocyclohexyl)-N-ethyl-3-propoxypropan-2-amine?
The canonical SMILES for 1-(3,3-difluorocyclohexyl)-N-ethyl-3-propoxypropan-2-amine is CCCOCC(CC1CCCC(F)(F)C1)NCC.
What is the InChIKey of 1-(3,3-difluorocyclohexyl)-N-ethyl-3-propoxypropan-2-amine?
The InChIKey is QATBRSFVZRPZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2NO/c1-3-8-18-11-13(17-4-2)9-12-6-5-7-14(15,16)10-12/h12-13,17H,3-11H2,1-2H3.
What are the key properties of 1-(3,3-difluorocyclohexyl)-N-ethyl-3-propoxypropan-2-amine?
1-(3,3-difluorocyclohexyl)-N-ethyl-3-propoxypropan-2-amine has a molecular weight of 263.37 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclohexyl)-N-ethyl-3-propoxypropan-2-amine is sourced from PubChem (CID 114224804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).