N-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine

C13H18FNO — CID 63563793

IUPACN-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1cccc(F)c1)C1CCOC1
InChIInChI=1S/C13H18FNO/c1-2-15-13(11-6-7-16-9-11)10-4-3-5-12(14)8-10/h3-5,8,11,13,15H,2,6-7,9H2,1H3
InChIKeyBHQVKTKMEKSULE-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.51
Rot. Bonds4

About N-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine

N-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine (PubChem CID 63563793) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
PubChem CID63563793
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1cccc(F)c1)C1CCOC1
InChIInChI=1S/C13H18FNO/c1-2-15-13(11-6-7-16-9-11)10-4-3-5-12(14)8-10/h3-5,8,11,13,15H,2,6-7,9H2,1H3
InChIKeyBHQVKTKMEKSULE-UHFFFAOYSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 65331704
N-[(3,4-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276509
N-[oxan-3-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 65332476
N-[(3-fluorophenyl)-(4-propylcyclohexyl)methyl]ethanamine
CID 65423582
N-[(2,3-difluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 65330309
N-[oxolan-3-yl-(4-phenylphenyl)methyl]ethanamine
CID 61276508
N-[(4-fluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 62906192
N-[(3-chloro-2-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 64713292
2-(3-fluorophenyl)-2-(oxolan-3-yl)ethanamine
CID 83820646
N-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine
CID 60818901
N-[(4-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 65331655
N-[1-(3-fluorophenyl)propyl]oxolan-3-amine
CID 114871720

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine (CID 63563793) is N-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine is CCNC(c1cccc(F)c1)C1CCOC1.
What is the InChIKey of N-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine?
The InChIKey is BHQVKTKMEKSULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-2-15-13(11-6-7-16-9-11)10-4-3-5-12(14)8-10/h3-5,8,11,13,15H,2,6-7,9H2,1H3.
What are the key properties of N-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine?
N-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine has a molecular weight of 223.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 63563793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).