N-[(2,3-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine

C15H21F2NO2 — CID 116765066

IUPACN-[(2,3-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine
SMILESCCNC(c1cccc(F)c1F)C1(OC)CCOCC1
InChIInChI=1S/C15H21F2NO2/c1-3-18-14(11-5-4-6-12(16)13(11)17)15(19-2)7-9-20-10-8-15/h4-6,14,18H,3,7-10H2,1-2H3
InChIKeyROENHDJAVDBROT-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.81
Rot. Bonds5

About N-[(2,3-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine

N-[(2,3-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine (PubChem CID 116765066) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine
PubChem CID116765066
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC NameN-[(2,3-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine
SMILESCCNC(c1cccc(F)c1F)C1(OC)CCOCC1
InChIInChI=1S/C15H21F2NO2/c1-3-18-14(11-5-4-6-12(16)13(11)17)15(19-2)7-9-20-10-8-15/h4-6,14,18H,3,7-10H2,1-2H3
InChIKeyROENHDJAVDBROT-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-[(2,3-difluorophenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine
CID 116714897
N-[(1-methoxycyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 116763285
N-[(2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116769648
N-[(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine
CID 116765061
[(4-methoxyoxan-4-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105276457
(2,3-difluorophenyl)-(4-ethoxyoxan-4-yl)methanol
CID 116754234
[(2,3-difluorophenyl)-(1-methoxycycloheptyl)methyl]hydrazine
CID 105278208
N-[(2-chloro-6-fluorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 114275214
N-[(5-bromo-2-fluorophenyl)-(4-ethoxyoxan-4-yl)methyl]ethanamine
CID 116765825
N-[(1-ethoxycyclopentyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 116762310
N-[(2,4-difluorophenyl)-(1-methoxycyclohexyl)methyl]ethanamine
CID 116763237
N-[(2-fluoro-3-methoxyphenyl)-(1-methylcyclopropyl)methyl]ethanamine
CID 82811953

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2,3-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine (CID 116765066) is N-[(2,3-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,3-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,3-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine is CCNC(c1cccc(F)c1F)C1(OC)CCOCC1.
What is the InChIKey of N-[(2,3-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine?
The InChIKey is ROENHDJAVDBROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-3-18-14(11-5-4-6-12(16)13(11)17)15(19-2)7-9-20-10-8-15/h4-6,14,18H,3,7-10H2,1-2H3.
What are the key properties of N-[(2,3-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine?
N-[(2,3-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-[(2,3-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine is sourced from PubChem (CID 116765066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).