N-[[2-(2,4-difluorophenyl)oxan-3-yl]methyl]propan-2-amine

C15H21F2NO — CID 79365830

IUPACN-[[2-(2,4-difluorophenyl)oxan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCOC1c1ccc(F)cc1F
InChIInChI=1S/C15H21F2NO/c1-10(2)18-9-11-4-3-7-19-15(11)13-6-5-12(16)8-14(13)17/h5-6,8,10-11,15,18H,3-4,7,9H2,1-2H3
InChIKeyRHUCCAMFEDHRMH-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.43
Rot. Bonds4

About N-[[2-(2,4-difluorophenyl)oxan-3-yl]methyl]propan-2-amine

N-[[2-(2,4-difluorophenyl)oxan-3-yl]methyl]propan-2-amine (PubChem CID 79365830) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[[2-(2,4-difluorophenyl)oxan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,4-difluorophenyl)oxan-3-yl]methyl]propan-2-amine
PubChem CID79365830
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC NameN-[[2-(2,4-difluorophenyl)oxan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCOC1c1ccc(F)cc1F
InChIInChI=1S/C15H21F2NO/c1-10(2)18-9-11-4-3-7-19-15(11)13-6-5-12(16)8-14(13)17/h5-6,8,10-11,15,18H,3-4,7,9H2,1-2H3
InChIKeyRHUCCAMFEDHRMH-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(chloromethyl)-2-(2,4-difluorophenyl)oxane
CID 79372640
N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62708395
1-[2-(2,5-difluorophenyl)oxan-3-yl]-N-methylmethanamine
CID 79365802
N-[[2-(4-fluoro-3-methylphenyl)oxan-3-yl]methyl]propan-2-amine
CID 79365740
N-[[2-(5-bromo-2-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368537
N-[[2-(4-fluoro-2-methylphenyl)oxan-3-yl]methyl]cyclopropanamine
CID 79365930
N-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]propan-2-amine
CID 79366010
N-[[2-(4-bromo-3-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 81441664
N-[[2-(4-bromo-2-fluorophenyl)oxan-3-yl]methyl]propan-1-amine
CID 79365554
N-[[2-(3,4,5-trifluorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368925
N-[[2-[(2,4-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81033071
N-[[2-(2,5-difluorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62708759

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4-difluorophenyl)oxan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2,4-difluorophenyl)oxan-3-yl]methyl]propan-2-amine (CID 79365830) is N-[[2-(2,4-difluorophenyl)oxan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2,4-difluorophenyl)oxan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2,4-difluorophenyl)oxan-3-yl]methyl]propan-2-amine is CC(C)NCC1CCCOC1c1ccc(F)cc1F.
What is the InChIKey of N-[[2-(2,4-difluorophenyl)oxan-3-yl]methyl]propan-2-amine?
The InChIKey is RHUCCAMFEDHRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-10(2)18-9-11-4-3-7-19-15(11)13-6-5-12(16)8-14(13)17/h5-6,8,10-11,15,18H,3-4,7,9H2,1-2H3.
What are the key properties of N-[[2-(2,4-difluorophenyl)oxan-3-yl]methyl]propan-2-amine?
N-[[2-(2,4-difluorophenyl)oxan-3-yl]methyl]propan-2-amine has a molecular weight of 269.33 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,4-difluorophenyl)oxan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 79365830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).