N-[(4-fluoro-3-methoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine

C16H24FNO2 — CID 115855741

IUPACN-[(4-fluoro-3-methoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(OC)c1)C1CCOCC1
InChIInChI=1S/C16H24FNO2/c1-3-8-18-16(12-6-9-20-10-7-12)13-4-5-14(17)15(11-13)19-2/h4-5,11-12,16,18H,3,6-10H2,1-2H3
InChIKeyIAOVWEPFQQUWLH-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.30
Rot. Bonds6

About N-[(4-fluoro-3-methoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine

N-[(4-fluoro-3-methoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine (PubChem CID 115855741) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is N-[(4-fluoro-3-methoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3-methoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
PubChem CID115855741
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC NameN-[(4-fluoro-3-methoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(OC)c1)C1CCOCC1
InChIInChI=1S/C16H24FNO2/c1-3-8-18-16(12-6-9-20-10-7-12)13-4-5-14(17)15(11-13)19-2/h4-5,11-12,16,18H,3,6-10H2,1-2H3
InChIKeyIAOVWEPFQQUWLH-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cycloheptyl-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 105027607
N-[(3-methoxy-4-methylphenyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 115856489
N-[(4-chloro-3-fluorophenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 107993179
N-[cyclohexyl-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 114981149
N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 104988004
N-[(3-bromo-4-methylphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115856010
N-[(3-fluoro-4-methoxyphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65413801
N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 62906368
N-[(3-bromo-4-chlorophenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115567999
N-[(3-bromo-4-methoxyphenyl)-(oxan-4-yl)methyl]ethanamine
CID 55131786
1-(4-fluoro-3-methoxyphenyl)-2-(oxan-4-yl)ethanol
CID 115789579
N-[(3-ethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 63935052

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-fluoro-3-methoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine (CID 115855741) is N-[(4-fluoro-3-methoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-fluoro-3-methoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-fluoro-3-methoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine is CCCNC(c1ccc(F)c(OC)c1)C1CCOCC1.
What is the InChIKey of N-[(4-fluoro-3-methoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine?
The InChIKey is IAOVWEPFQQUWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-3-8-18-16(12-6-9-20-10-7-12)13-4-5-14(17)15(11-13)19-2/h4-5,11-12,16,18H,3,6-10H2,1-2H3.
What are the key properties of N-[(4-fluoro-3-methoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine?
N-[(4-fluoro-3-methoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine has a molecular weight of 281.37 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 115855741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).