1-(3,3-difluorocyclohexyl)-3-ethyl-3-methoxypentan-2-amine

C14H27F2NO — CID 114224951

IUPAC1-(3,3-difluorocyclohexyl)-3-ethyl-3-methoxypentan-2-amine
SMILESCCC(CC)(OC)C(N)CC1CCCC(F)(F)C1
InChIInChI=1S/C14H27F2NO/c1-4-13(5-2,18-3)12(17)9-11-7-6-8-14(15,16)10-11/h11-12H,4-10,17H2,1-3H3
InChIKeyQAARAQVYTJBOMP-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.73
Rot. Bonds6

About 1-(3,3-difluorocyclohexyl)-3-ethyl-3-methoxypentan-2-amine

1-(3,3-difluorocyclohexyl)-3-ethyl-3-methoxypentan-2-amine (PubChem CID 114224951) has the molecular formula C14H27F2NO and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-(3,3-difluorocyclohexyl)-3-ethyl-3-methoxypentan-2-amine.

Molecular Properties

Compound Name1-(3,3-difluorocyclohexyl)-3-ethyl-3-methoxypentan-2-amine
PubChem CID114224951
Molecular FormulaC14H27F2NO
Molecular Weight263.37 g/mol
Exact Mass263.21
IUPAC Name1-(3,3-difluorocyclohexyl)-3-ethyl-3-methoxypentan-2-amine
SMILESCCC(CC)(OC)C(N)CC1CCCC(F)(F)C1
InChIInChI=1S/C14H27F2NO/c1-4-13(5-2,18-3)12(17)9-11-7-6-8-14(15,16)10-11/h11-12H,4-10,17H2,1-3H3
InChIKeyQAARAQVYTJBOMP-UHFFFAOYSA-N
XLogP3.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,4-Difluorocyclohexyl)-2-ethoxyethan-1-amine hydrochloride
CID 155821550
[4-(Difluoromethyl)-1-methoxycyclohexyl]methanamine
CID 122164072
4-(1,1,1-Trifluoro-2-methoxypropan-2-yl)cyclohexan-1-amine
CID 21252713
1-Cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine
CID 54123882
C-(4,4-Difluoro-1-methoxy-cyclohexyl)-methylamine hydrochloride
CID 121393453
4-Ethyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 16783389
[4-Propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 55036534
4-Propyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61064378
3-(2-Ethylcyclohexyl)oxy-4,4,4-trifluorobutan-2-amine
CID 61647675
2-(2-Ethylcyclohexyl)oxy-1,1,1-trifluoropentan-3-amine
CID 61647676
[4-Ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 62111252
2-(Cyclohexylmethoxy)-1,1,1-trifluoropentan-3-amine
CID 62382934

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclohexyl)-3-ethyl-3-methoxypentan-2-amine?
The IUPAC name of 1-(3,3-difluorocyclohexyl)-3-ethyl-3-methoxypentan-2-amine (CID 114224951) is 1-(3,3-difluorocyclohexyl)-3-ethyl-3-methoxypentan-2-amine.
What is the SMILES notation for 1-(3,3-difluorocyclohexyl)-3-ethyl-3-methoxypentan-2-amine?
The canonical SMILES for 1-(3,3-difluorocyclohexyl)-3-ethyl-3-methoxypentan-2-amine is CCC(CC)(OC)C(N)CC1CCCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclohexyl)-3-ethyl-3-methoxypentan-2-amine?
The InChIKey is QAARAQVYTJBOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2NO/c1-4-13(5-2,18-3)12(17)9-11-7-6-8-14(15,16)10-11/h11-12H,4-10,17H2,1-3H3.
What are the key properties of 1-(3,3-difluorocyclohexyl)-3-ethyl-3-methoxypentan-2-amine?
1-(3,3-difluorocyclohexyl)-3-ethyl-3-methoxypentan-2-amine has a molecular weight of 263.37 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclohexyl)-3-ethyl-3-methoxypentan-2-amine is sourced from PubChem (CID 114224951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).