N-[(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine

C15H21F2NO2 — CID 116765061

IUPACN-[(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine
SMILESCCNC(c1cc(F)cc(F)c1)C1(OC)CCOCC1
InChIInChI=1S/C15H21F2NO2/c1-3-18-14(11-8-12(16)10-13(17)9-11)15(19-2)4-6-20-7-5-15/h8-10,14,18H,3-7H2,1-2H3
InChIKeyJHXZBNNVZQIZQA-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.81
Rot. Bonds5

About N-[(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine

N-[(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine (PubChem CID 116765061) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine
PubChem CID116765061
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC NameN-[(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine
SMILESCCNC(c1cc(F)cc(F)c1)C1(OC)CCOCC1
InChIInChI=1S/C15H21F2NO2/c1-3-18-14(11-8-12(16)10-13(17)9-11)15(19-2)4-6-20-7-5-15/h8-10,14,18H,3-7H2,1-2H3
InChIKeyJHXZBNNVZQIZQA-UHFFFAOYSA-N
XLogP2.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethoxyoxan-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
CID 116765908
N-[(3,5-difluorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine
CID 116763465
(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methanamine
CID 116764533
N-[(2,3-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine
CID 116765066
N-[(5-fluoro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 114730943
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764982
N-[(4-ethylphenyl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 116765167
N-[(2,4-difluorophenyl)-(1-methoxycyclohexyl)methyl]ethanamine
CID 116763237
N-[(3-ethylphenyl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 116765233
N-[(3,5-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine
CID 116766686
N-[(4-methoxyoxan-4-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114689312
N-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine
CID 104611192

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine?
The IUPAC name of N-[(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine (CID 116765061) is N-[(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine is CCNC(c1cc(F)cc(F)c1)C1(OC)CCOCC1.
What is the InChIKey of N-[(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine?
The InChIKey is JHXZBNNVZQIZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-3-18-14(11-8-12(16)10-13(17)9-11)15(19-2)4-6-20-7-5-15/h8-10,14,18H,3-7H2,1-2H3.
What are the key properties of N-[(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine?
N-[(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine has a molecular weight of 285.33 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine is sourced from PubChem (CID 116765061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).