2-(3,5-difluorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine

C14H19F2NO2 — CID 62784900

IUPAC2-(3,5-difluorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC(CNCC1CCCO1)Oc1cc(F)cc(F)c1
InChIInChI=1S/C14H19F2NO2/c1-10(8-17-9-13-3-2-4-18-13)19-14-6-11(15)5-12(16)7-14/h5-7,10,13,17H,2-4,8-9H2,1H3
InChIKeyKNKXZJPEHGYVPT-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.50
Rot. Bonds6

About 2-(3,5-difluorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine

2-(3,5-difluorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 62784900) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-(3,5-difluorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(3,5-difluorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID62784900
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name2-(3,5-difluorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC(CNCC1CCCO1)Oc1cc(F)cc(F)c1
InChIInChI=1S/C14H19F2NO2/c1-10(8-17-9-13-3-2-4-18-13)19-14-6-11(15)5-12(16)7-14/h5-7,10,13,17H,2-4,8-9H2,1H3
InChIKeyKNKXZJPEHGYVPT-UHFFFAOYSA-N
XLogP2.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylsulfanylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 63649409
2-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62573039
2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55093100
1-ethyl-2-[2-(4-fluorophenoxy)propyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111497295
2-(cyclohexylmethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55093361
(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
CID 100558519
N-(oxolan-2-ylmethyl)-2-phenylpropan-1-amine
CID 3366630
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine
CID 40654008
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-(oxolan-2-ylmethyl)propan-1-amine
CID 104567121
2-(oxolan-3-ylmethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55092213
(2R)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]pentan-1-amine
CID 28619216
2-(3-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62582422

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(3,5-difluorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine (CID 62784900) is 2-(3,5-difluorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(3,5-difluorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(3,5-difluorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine is CC(CNCC1CCCO1)Oc1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is KNKXZJPEHGYVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-10(8-17-9-13-3-2-4-18-13)19-14-6-11(15)5-12(16)7-14/h5-7,10,13,17H,2-4,8-9H2,1H3.
What are the key properties of 2-(3,5-difluorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine?
2-(3,5-difluorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 271.31 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 62784900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).