1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanamine

C13H18FNO — CID 62791351

IUPAC1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanamine
SMILESCc1cc(F)ccc1C(N)CC1CCCO1
InChIInChI=1S/C13H18FNO/c1-9-7-10(14)4-5-12(9)13(15)8-11-3-2-6-16-11/h4-5,7,11,13H,2-3,6,8,15H2,1H3
InChIKeyOWGMOTWFWLHMSJ-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.70
Rot. Bonds3

About 1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanamine

1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanamine (PubChem CID 62791351) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanamine
PubChem CID62791351
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanamine
SMILESCc1cc(F)ccc1C(N)CC1CCCO1
InChIInChI=1S/C13H18FNO/c1-9-7-10(14)4-5-12(9)13(15)8-11-3-2-6-16-11/h4-5,7,11,13H,2-3,6,8,15H2,1H3
InChIKeyOWGMOTWFWLHMSJ-UHFFFAOYSA-N
XLogP2.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-2-(oxolan-2-yl)ethanamine
CID 62800857
1-(4-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-2-amine
CID 114347642
1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 62608272
1-(4-bromo-2,5-difluorophenyl)-2-(oxolan-2-yl)ethanamine
CID 65156453
2-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 65154946
1-(3,4-dimethylphenyl)-2-(oxan-2-yl)ethanamine
CID 113391540
2-(4-fluoro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 55038391
2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanamine
CID 65138607
1-(5-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine
CID 65104547
2-[ethyl(oxolan-2-ylmethyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565145
1-(4-fluoro-2-methylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 81270071
1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 62790852

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanamine (CID 62791351) is 1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanamine is Cc1cc(F)ccc1C(N)CC1CCCO1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanamine?
The InChIKey is OWGMOTWFWLHMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-7-10(14)4-5-12(9)13(15)8-11-3-2-6-16-11/h4-5,7,11,13H,2-3,6,8,15H2,1H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanamine?
1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanamine has a molecular weight of 223.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 62791351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).