(3-fluoro-5-methylphenyl)-(oxan-3-yl)methanamine

C13H18FNO — CID 79703753

IUPAC(3-fluoro-5-methylphenyl)-(oxan-3-yl)methanamine
SMILESCc1cc(F)cc(C(N)C2CCCOC2)c1
InChIInChI=1S/C13H18FNO/c1-9-5-11(7-12(14)6-9)13(15)10-3-2-4-16-8-10/h5-7,10,13H,2-4,8,15H2,1H3
InChIKeyBPGIPOPDMKMCIU-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.56
Rot. Bonds2

About (3-fluoro-5-methylphenyl)-(oxan-3-yl)methanamine

(3-fluoro-5-methylphenyl)-(oxan-3-yl)methanamine (PubChem CID 79703753) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (3-fluoro-5-methylphenyl)-(oxan-3-yl)methanamine.

Molecular Properties

Compound Name(3-fluoro-5-methylphenyl)-(oxan-3-yl)methanamine
PubChem CID79703753
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(3-fluoro-5-methylphenyl)-(oxan-3-yl)methanamine
SMILESCc1cc(F)cc(C(N)C2CCCOC2)c1
InChIInChI=1S/C13H18FNO/c1-9-5-11(7-12(14)6-9)13(15)10-3-2-4-16-8-10/h5-7,10,13H,2-4,8,15H2,1H3
InChIKeyBPGIPOPDMKMCIU-UHFFFAOYSA-N
XLogP2.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclobutyl-(3-fluoro-5-methylphenyl)methanamine
CID 130054445
(3,5-dibromophenyl)-(oxan-3-yl)methanamine
CID 107978057
oxan-3-yl-(3,4,5-trimethoxyphenyl)methanamine
CID 107139267
(S)-cyclobutyl-(3,5-dimethylphenyl)methanamine
CID 130055056
(4-chloro-3-fluorophenyl)-(oxan-3-yl)methanamine
CID 107996101
(3-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methanamine
CID 79704869
(4-methylthiophen-2-yl)-(oxan-3-yl)methanamine
CID 131160208
(3-methylphenyl)-(oxolan-3-yl)methanamine
CID 63564750
(3-bromo-5-fluorophenyl)-(oxan-3-yl)methanol
CID 107136132
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(oxan-3-yl)methanamine
CID 107139062
(R)-cyclohexyl-(3,5-difluorophenyl)methanamine;hydrochloride
CID 171204514
(3-fluoro-5-methylphenyl)-(3-methyloxolan-2-yl)methanamine
CID 105016634

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-methylphenyl)-(oxan-3-yl)methanamine?
The IUPAC name of (3-fluoro-5-methylphenyl)-(oxan-3-yl)methanamine (CID 79703753) is (3-fluoro-5-methylphenyl)-(oxan-3-yl)methanamine.
What is the SMILES notation for (3-fluoro-5-methylphenyl)-(oxan-3-yl)methanamine?
The canonical SMILES for (3-fluoro-5-methylphenyl)-(oxan-3-yl)methanamine is Cc1cc(F)cc(C(N)C2CCCOC2)c1.
What is the InChIKey of (3-fluoro-5-methylphenyl)-(oxan-3-yl)methanamine?
The InChIKey is BPGIPOPDMKMCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-5-11(7-12(14)6-9)13(15)10-3-2-4-16-8-10/h5-7,10,13H,2-4,8,15H2,1H3.
What are the key properties of (3-fluoro-5-methylphenyl)-(oxan-3-yl)methanamine?
(3-fluoro-5-methylphenyl)-(oxan-3-yl)methanamine has a molecular weight of 223.29 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-methylphenyl)-(oxan-3-yl)methanamine is sourced from PubChem (CID 79703753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).