N-[(4-fluorophenyl)-(oxan-4-yl)methyl]ethanamine

C14H20FNO — CID 62906192

IUPACN-[(4-fluorophenyl)-(oxan-4-yl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)C1CCOCC1
InChIInChI=1S/C14H20FNO/c1-2-16-14(12-7-9-17-10-8-12)11-3-5-13(15)6-4-11/h3-6,12,14,16H,2,7-10H2,1H3
InChIKeyRUKPMLDPBIIJFS-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.90
Rot. Bonds4

About N-[(4-fluorophenyl)-(oxan-4-yl)methyl]ethanamine

N-[(4-fluorophenyl)-(oxan-4-yl)methyl]ethanamine (PubChem CID 62906192) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(oxan-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(oxan-4-yl)methyl]ethanamine
PubChem CID62906192
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-[(4-fluorophenyl)-(oxan-4-yl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)C1CCOCC1
InChIInChI=1S/C14H20FNO/c1-2-16-14(12-7-9-17-10-8-12)11-3-5-13(15)6-4-11/h3-6,12,14,16H,2,7-10H2,1H3
InChIKeyRUKPMLDPBIIJFS-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 62907400
N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 62905659
N-[(2,5-difluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 62907060
N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methyl]ethanamine
CID 107289016
N-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 55187004
N-[(3-bromo-4-chlorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 113337193
N-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 63563793
N-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276481
N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114940856
N-[oxolan-3-yl-(4-phenylphenyl)methyl]ethanamine
CID 61276508
1-(4-fluorophenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61273212
N-[(4-chloro-2-fluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 63936493

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(oxan-4-yl)methyl]ethanamine?
The IUPAC name of N-[(4-fluorophenyl)-(oxan-4-yl)methyl]ethanamine (CID 62906192) is N-[(4-fluorophenyl)-(oxan-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)-(oxan-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-fluorophenyl)-(oxan-4-yl)methyl]ethanamine is CCNC(c1ccc(F)cc1)C1CCOCC1.
What is the InChIKey of N-[(4-fluorophenyl)-(oxan-4-yl)methyl]ethanamine?
The InChIKey is RUKPMLDPBIIJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-2-16-14(12-7-9-17-10-8-12)11-3-5-13(15)6-4-11/h3-6,12,14,16H,2,7-10H2,1H3.
What are the key properties of N-[(4-fluorophenyl)-(oxan-4-yl)methyl]ethanamine?
N-[(4-fluorophenyl)-(oxan-4-yl)methyl]ethanamine has a molecular weight of 237.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(oxan-4-yl)methyl]ethanamine is sourced from PubChem (CID 62906192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).