N-[(2,5-difluorophenyl)-(oxan-4-yl)methyl]ethanamine

C14H19F2NO — CID 62907060

IUPACN-[(2,5-difluorophenyl)-(oxan-4-yl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1F)C1CCOCC1
InChIInChI=1S/C14H19F2NO/c1-2-17-14(10-5-7-18-8-6-10)12-9-11(15)3-4-13(12)16/h3-4,9-10,14,17H,2,5-8H2,1H3
InChIKeyNHKCTWQEIIILTL-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.04
Rot. Bonds4

About N-[(2,5-difluorophenyl)-(oxan-4-yl)methyl]ethanamine

N-[(2,5-difluorophenyl)-(oxan-4-yl)methyl]ethanamine (PubChem CID 62907060) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)-(oxan-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)-(oxan-4-yl)methyl]ethanamine
PubChem CID62907060
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC NameN-[(2,5-difluorophenyl)-(oxan-4-yl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1F)C1CCOCC1
InChIInChI=1S/C14H19F2NO/c1-2-17-14(10-5-7-18-8-6-10)12-9-11(15)3-4-13(12)16/h3-4,9-10,14,17H,2,5-8H2,1H3
InChIKeyNHKCTWQEIIILTL-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-difluorophenyl)-(oxan-3-yl)methyl]ethanamine
CID 63010696
N-[(4-chloro-2-fluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 63936493
N-[(4-fluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 62906192
N-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine
CID 43490214
N-[cyclopropyl-(2,5-difluorophenyl)methyl]oxan-4-amine
CID 84589355
N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62791719
2-[[cyclopropyl-(2,5-difluorophenyl)methyl]amino]acetonitrile
CID 84598890
N-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine
CID 65018553
N-[(2,5-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276511
N-[(5-bromo-2-chlorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 115855995
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 63936685
N-[[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]ethanamine
CID 115856059

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)-(oxan-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-difluorophenyl)-(oxan-4-yl)methyl]ethanamine (CID 62907060) is N-[(2,5-difluorophenyl)-(oxan-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-difluorophenyl)-(oxan-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-difluorophenyl)-(oxan-4-yl)methyl]ethanamine is CCNC(c1cc(F)ccc1F)C1CCOCC1.
What is the InChIKey of N-[(2,5-difluorophenyl)-(oxan-4-yl)methyl]ethanamine?
The InChIKey is NHKCTWQEIIILTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-2-17-14(10-5-7-18-8-6-10)12-9-11(15)3-4-13(12)16/h3-4,9-10,14,17H,2,5-8H2,1H3.
What are the key properties of N-[(2,5-difluorophenyl)-(oxan-4-yl)methyl]ethanamine?
N-[(2,5-difluorophenyl)-(oxan-4-yl)methyl]ethanamine has a molecular weight of 255.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)-(oxan-4-yl)methyl]ethanamine is sourced from PubChem (CID 62907060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).