1-(2,6-difluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine

C15H21F2NO — CID 114931834

IUPAC1-(2,6-difluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
SMILESCCNC(Cc1c(F)cccc1F)CC1CCCO1
InChIInChI=1S/C15H21F2NO/c1-2-18-11(9-12-5-4-8-19-12)10-13-14(16)6-3-7-15(13)17/h3,6-7,11-12,18H,2,4-5,8-10H2,1H3
InChIKeyGKBCPOWMNMCZEZ-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.05
Rot. Bonds6

About 1-(2,6-difluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine

1-(2,6-difluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine (PubChem CID 114931834) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
PubChem CID114931834
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name1-(2,6-difluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
SMILESCCNC(Cc1c(F)cccc1F)CC1CCCO1
InChIInChI=1S/C15H21F2NO/c1-2-18-11(9-12-5-4-8-19-12)10-13-14(16)6-3-7-15(13)17/h3,6-7,11-12,18H,2,4-5,8-10H2,1H3
InChIKeyGKBCPOWMNMCZEZ-UHFFFAOYSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114458172
N-ethyl-1-(5-ethylthiophen-2-yl)-3-(oxolan-2-yl)propan-2-amine
CID 62600752
1-(2,6-dimethylphenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 105024443
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 79708965
N-ethyl-1-(oxolan-2-yl)butan-2-amine
CID 60820573
N-ethyl-1-(5-ethyl-2-pyridinyl)-3-(oxolan-2-yl)propan-2-amine
CID 79748191
1-(1-benzothiophen-3-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 63737763
1-cyclopentyl-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 62601705
1-cyclohexylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114932112
1-(2,6-difluorophenyl)-3-(1,1-dioxothiolan-3-yl)-N-ethylpropan-2-amine
CID 105190645
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 104770157
N-ethyl-1-(4-fluorophenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65167136

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine (CID 114931834) is 1-(2,6-difluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine is CCNC(Cc1c(F)cccc1F)CC1CCCO1.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine?
The InChIKey is GKBCPOWMNMCZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-2-18-11(9-12-5-4-8-19-12)10-13-14(16)6-3-7-15(13)17/h3,6-7,11-12,18H,2,4-5,8-10H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine?
1-(2,6-difluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine has a molecular weight of 269.33 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine is sourced from PubChem (CID 114931834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).