1-(3,3-difluorocyclopentyl)-3-propan-2-yloxy-N-propylpropan-2-amine

C14H27F2NO — CID 114225750

IUPAC1-(3,3-difluorocyclopentyl)-3-propan-2-yloxy-N-propylpropan-2-amine
SMILESCCCNC(COC(C)C)CC1CCC(F)(F)C1
InChIInChI=1S/C14H27F2NO/c1-4-7-17-13(10-18-11(2)3)8-12-5-6-14(15,16)9-12/h11-13,17H,4-10H2,1-3H3
InChIKeyWMDPGHPWHQFMFI-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.61
Rot. Bonds8

About 1-(3,3-difluorocyclopentyl)-3-propan-2-yloxy-N-propylpropan-2-amine

1-(3,3-difluorocyclopentyl)-3-propan-2-yloxy-N-propylpropan-2-amine (PubChem CID 114225750) has the molecular formula C14H27F2NO and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopentyl)-3-propan-2-yloxy-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(3,3-difluorocyclopentyl)-3-propan-2-yloxy-N-propylpropan-2-amine
PubChem CID114225750
Molecular FormulaC14H27F2NO
Molecular Weight263.37 g/mol
Exact Mass263.21
IUPAC Name1-(3,3-difluorocyclopentyl)-3-propan-2-yloxy-N-propylpropan-2-amine
SMILESCCCNC(COC(C)C)CC1CCC(F)(F)C1
InChIInChI=1S/C14H27F2NO/c1-4-7-17-13(10-18-11(2)3)8-12-5-6-14(15,16)9-12/h11-13,17H,4-10H2,1-3H3
InChIKeyWMDPGHPWHQFMFI-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

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Related Compounds

2-Cyclopentyl-6-(trifluoromethyl)morpholine
CID 73994595
(2S)-2-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine
CID 20648533
(2S,3S,4S,5R)-4-fluoro-N-methyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
CID 176612956
N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
CID 54961820
N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
CID 54961821
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 54962221
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
CID 55036583
1-cyclopentyl-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 55094981
N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 61490288
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 61490289
N,4-dipropyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61754694
N-methyl-4-propyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61755097

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclopentyl)-3-propan-2-yloxy-N-propylpropan-2-amine?
The IUPAC name of 1-(3,3-difluorocyclopentyl)-3-propan-2-yloxy-N-propylpropan-2-amine (CID 114225750) is 1-(3,3-difluorocyclopentyl)-3-propan-2-yloxy-N-propylpropan-2-amine.
What is the SMILES notation for 1-(3,3-difluorocyclopentyl)-3-propan-2-yloxy-N-propylpropan-2-amine?
The canonical SMILES for 1-(3,3-difluorocyclopentyl)-3-propan-2-yloxy-N-propylpropan-2-amine is CCCNC(COC(C)C)CC1CCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclopentyl)-3-propan-2-yloxy-N-propylpropan-2-amine?
The InChIKey is WMDPGHPWHQFMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2NO/c1-4-7-17-13(10-18-11(2)3)8-12-5-6-14(15,16)9-12/h11-13,17H,4-10H2,1-3H3.
What are the key properties of 1-(3,3-difluorocyclopentyl)-3-propan-2-yloxy-N-propylpropan-2-amine?
1-(3,3-difluorocyclopentyl)-3-propan-2-yloxy-N-propylpropan-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-difluorocyclopentyl)-3-propan-2-yloxy-N-propylpropan-2-amine is sourced from PubChem (CID 114225750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).