N-[(2-fluoro-4,5-dimethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine

C16H24FNO3 — CID 62867456

IUPACN-[(2-fluoro-4,5-dimethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(OC)c(OC)cc1F)C1CCCO1
InChIInChI=1S/C16H24FNO3/c1-4-7-18-16(13-6-5-8-21-13)11-9-14(19-2)15(20-3)10-12(11)17/h9-10,13,16,18H,4-8H2,1-3H3
InChIKeyYMAUBYCUYDZVMZ-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.06
Rot. Bonds7

About N-[(2-fluoro-4,5-dimethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine

N-[(2-fluoro-4,5-dimethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine (PubChem CID 62867456) has the molecular formula C16H24FNO3 and a molecular weight of 297.37 g/mol. Its IUPAC name is N-[(2-fluoro-4,5-dimethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-fluoro-4,5-dimethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine
PubChem CID62867456
Molecular FormulaC16H24FNO3
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC NameN-[(2-fluoro-4,5-dimethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(OC)c(OC)cc1F)C1CCCO1
InChIInChI=1S/C16H24FNO3/c1-4-7-18-16(13-6-5-8-21-13)11-9-14(19-2)15(20-3)10-12(11)17/h9-10,13,16,18H,4-8H2,1-3H3
InChIKeyYMAUBYCUYDZVMZ-UHFFFAOYSA-N
XLogP3.06
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[oxolan-2-yl-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302939
N-[(2-bromo-4,5-dimethoxyphenyl)-(oxan-2-yl)methyl]ethanamine
CID 62213531
N-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine
CID 62213882
N-[(3,5-dimethylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328759
N-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine
CID 43490214
N-[(4-ethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 43495188
N-[(4-fluoro-2,6-dimethylphenyl)-(oxan-2-yl)methyl]propan-1-amine
CID 106878787
N-methyl-1-(oxolan-2-yl)-1-(2,4,5-trifluorophenyl)methanamine
CID 103302330
N-[(4-bromophenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 43494552
N-[(5-methylthiophen-3-yl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328877
N-[(5-fluoro-2-methylphenyl)-(oxolan-2-yl)methyl]ethanamine
CID 65328698
N-[oxolan-2-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65328590

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4,5-dimethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-fluoro-4,5-dimethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine (CID 62867456) is N-[(2-fluoro-4,5-dimethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-fluoro-4,5-dimethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-fluoro-4,5-dimethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine is CCCNC(c1cc(OC)c(OC)cc1F)C1CCCO1.
What is the InChIKey of N-[(2-fluoro-4,5-dimethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine?
The InChIKey is YMAUBYCUYDZVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO3/c1-4-7-18-16(13-6-5-8-21-13)11-9-14(19-2)15(20-3)10-12(11)17/h9-10,13,16,18H,4-8H2,1-3H3.
What are the key properties of N-[(2-fluoro-4,5-dimethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine?
N-[(2-fluoro-4,5-dimethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine has a molecular weight of 297.37 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4,5-dimethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 62867456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).