(3-fluoro-5-methylphenyl)-(3-methyloxolan-2-yl)methanamine

C13H18FNO — CID 105016634

IUPAC(3-fluoro-5-methylphenyl)-(3-methyloxolan-2-yl)methanamine
SMILESCc1cc(F)cc(C(N)C2OCCC2C)c1
InChIInChI=1S/C13H18FNO/c1-8-5-10(7-11(14)6-8)12(15)13-9(2)3-4-16-13/h5-7,9,12-13H,3-4,15H2,1-2H3
InChIKeyDYVRKIFHXKXTFE-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.56
Rot. Bonds2

About (3-fluoro-5-methylphenyl)-(3-methyloxolan-2-yl)methanamine

(3-fluoro-5-methylphenyl)-(3-methyloxolan-2-yl)methanamine (PubChem CID 105016634) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (3-fluoro-5-methylphenyl)-(3-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name(3-fluoro-5-methylphenyl)-(3-methyloxolan-2-yl)methanamine
PubChem CID105016634
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(3-fluoro-5-methylphenyl)-(3-methyloxolan-2-yl)methanamine
SMILESCc1cc(F)cc(C(N)C2OCCC2C)c1
InChIInChI=1S/C13H18FNO/c1-8-5-10(7-11(14)6-8)12(15)13-9(2)3-4-16-13/h5-7,9,12-13H,3-4,15H2,1-2H3
InChIKeyDYVRKIFHXKXTFE-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-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methanamine
CID 79704869
(2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanamine
CID 115859971
(3-methyloxolan-2-yl)-naphthalen-2-ylmethanamine
CID 115851127
(3-fluoro-5-methylphenyl)-(oxan-3-yl)methanamine
CID 79703753
(3,5-dimethylphenyl)-(2-methyloxolan-3-yl)methanamine
CID 115797335
(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methanamine
CID 115481965
(4-methylfuran-3-yl)-(3-methyloxolan-2-yl)methanamine
CID 131145604
(5-fluoro-3-pyridinyl)-(3-methyloxolan-2-yl)methanol
CID 114981175
(4-methoxy-2,5-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine
CID 105033003
(3-fluoro-5-methylphenyl)-(3-methyloxan-4-yl)methanol
CID 114242056
(2-chlorophenyl)-(3-methyloxolan-2-yl)methanamine
CID 115801779

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-methylphenyl)-(3-methyloxolan-2-yl)methanamine?
The IUPAC name of (3-fluoro-5-methylphenyl)-(3-methyloxolan-2-yl)methanamine (CID 105016634) is (3-fluoro-5-methylphenyl)-(3-methyloxolan-2-yl)methanamine.
What is the SMILES notation for (3-fluoro-5-methylphenyl)-(3-methyloxolan-2-yl)methanamine?
The canonical SMILES for (3-fluoro-5-methylphenyl)-(3-methyloxolan-2-yl)methanamine is Cc1cc(F)cc(C(N)C2OCCC2C)c1.
What is the InChIKey of (3-fluoro-5-methylphenyl)-(3-methyloxolan-2-yl)methanamine?
The InChIKey is DYVRKIFHXKXTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-8-5-10(7-11(14)6-8)12(15)13-9(2)3-4-16-13/h5-7,9,12-13H,3-4,15H2,1-2H3.
What are the key properties of (3-fluoro-5-methylphenyl)-(3-methyloxolan-2-yl)methanamine?
(3-fluoro-5-methylphenyl)-(3-methyloxolan-2-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)-(3-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 105016634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).