2-cyclopropyl-N-[1-(2,6-difluorophenyl)ethyl]oxolan-3-amine

C15H19F2NO — CID 103905858

IUPAC2-cyclopropyl-N-[1-(2,6-difluorophenyl)ethyl]oxolan-3-amine
SMILESCC(NC1CCOC1C1CC1)c1c(F)cccc1F
InChIInChI=1S/C15H19F2NO/c1-9(14-11(16)3-2-4-12(14)17)18-13-7-8-19-15(13)10-5-6-10/h2-4,9-10,13,15,18H,5-8H2,1H3
InChIKeyZNEONRLZOLEACA-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.18
Rot. Bonds4

About 2-cyclopropyl-N-[1-(2,6-difluorophenyl)ethyl]oxolan-3-amine

2-cyclopropyl-N-[1-(2,6-difluorophenyl)ethyl]oxolan-3-amine (PubChem CID 103905858) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-(2,6-difluorophenyl)ethyl]oxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-(2,6-difluorophenyl)ethyl]oxolan-3-amine
PubChem CID103905858
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name2-cyclopropyl-N-[1-(2,6-difluorophenyl)ethyl]oxolan-3-amine
SMILESCC(NC1CCOC1C1CC1)c1c(F)cccc1F
InChIInChI=1S/C15H19F2NO/c1-9(14-11(16)3-2-4-12(14)17)18-13-7-8-19-15(13)10-5-6-10/h2-4,9-10,13,15,18H,5-8H2,1H3
InChIKeyZNEONRLZOLEACA-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-Fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746777
(4-Fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746785
(2-Fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrobromide
CID 24746787
3-(3,4-Difluorophenyl)morpholine
CID 18623219
[1-(4-Fluorophenyl)-2-methoxyethyl](methyl)amine
CID 61553432
N-benzyl-3-(trifluoromethyl)oxolan-3-amine
CID 75480518
5-(3-Fluorophenyl)pyrrolidin-3-ol hydrochloride
CID 91662985
1-(4-fluorophenyl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine
CID 832718
N-[(4-fluorophenyl)methyl]-2,2-dimethyloxan-4-amine
CID 3145047
(3-Fluoro-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine
CID 3156813
(3S,4S)-4-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine
CID 46956014
4-(4-fluorophenyl)-N-(2-propan-2-yloxyethyl)oxan-4-amine
CID 53621829

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-(2,6-difluorophenyl)ethyl]oxolan-3-amine?
The IUPAC name of 2-cyclopropyl-N-[1-(2,6-difluorophenyl)ethyl]oxolan-3-amine (CID 103905858) is 2-cyclopropyl-N-[1-(2,6-difluorophenyl)ethyl]oxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-N-[1-(2,6-difluorophenyl)ethyl]oxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-N-[1-(2,6-difluorophenyl)ethyl]oxolan-3-amine is CC(NC1CCOC1C1CC1)c1c(F)cccc1F.
What is the InChIKey of 2-cyclopropyl-N-[1-(2,6-difluorophenyl)ethyl]oxolan-3-amine?
The InChIKey is ZNEONRLZOLEACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-9(14-11(16)3-2-4-12(14)17)18-13-7-8-19-15(13)10-5-6-10/h2-4,9-10,13,15,18H,5-8H2,1H3.
What are the key properties of 2-cyclopropyl-N-[1-(2,6-difluorophenyl)ethyl]oxolan-3-amine?
2-cyclopropyl-N-[1-(2,6-difluorophenyl)ethyl]oxolan-3-amine has a molecular weight of 267.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-(2,6-difluorophenyl)ethyl]oxolan-3-amine is sourced from PubChem (CID 103905858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).