(2-chloro-5-fluorophenyl)-(2-methyloxolan-3-yl)methanamine

C12H15ClFNO — CID 105397164

IUPAC(2-chloro-5-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
SMILESCC1OCCC1C(N)c1cc(F)ccc1Cl
InChIInChI=1S/C12H15ClFNO/c1-7-9(4-5-16-7)12(15)10-6-8(14)2-3-11(10)13/h2-3,6-7,9,12H,4-5,15H2,1H3
InChIKeyUBLRYYWOBFWXRH-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.90
Rot. Bonds2

About (2-chloro-5-fluorophenyl)-(2-methyloxolan-3-yl)methanamine

(2-chloro-5-fluorophenyl)-(2-methyloxolan-3-yl)methanamine (PubChem CID 105397164) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-(2-methyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
PubChem CID105397164
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name(2-chloro-5-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
SMILESCC1OCCC1C(N)c1cc(F)ccc1Cl
InChIInChI=1S/C12H15ClFNO/c1-7-9(4-5-16-7)12(15)10-6-8(14)2-3-11(10)13/h2-3,6-7,9,12H,4-5,15H2,1H3
InChIKeyUBLRYYWOBFWXRH-UHFFFAOYSA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 115801573
(4-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 79757879
2-(2-chloro-4-fluorophenyl)-1-(2-methyloxolan-3-yl)ethanamine
CID 115840656
(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 115851414
(2-methyloxolan-3-yl)-(2,3,4-trifluorophenyl)methanamine
CID 115855316
(5-bromo-2-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 105011945
(2-chloro-5-fluorophenyl)-(5-methyloxolan-2-yl)methanamine
CID 105396850
(2-chloro-5-fluorophenyl)-(oxan-2-yl)methanamine
CID 105397026
(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine
CID 131512229
(5-fluoro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol
CID 79763340
(2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanamine
CID 105395270
(5-bromo-4-chlorothiophen-2-yl)-(2-methyloxolan-3-yl)methanamine
CID 80530693

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-(2-methyloxolan-3-yl)methanamine?
The IUPAC name of (2-chloro-5-fluorophenyl)-(2-methyloxolan-3-yl)methanamine (CID 105397164) is (2-chloro-5-fluorophenyl)-(2-methyloxolan-3-yl)methanamine.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-(2-methyloxolan-3-yl)methanamine?
The canonical SMILES for (2-chloro-5-fluorophenyl)-(2-methyloxolan-3-yl)methanamine is CC1OCCC1C(N)c1cc(F)ccc1Cl.
What is the InChIKey of (2-chloro-5-fluorophenyl)-(2-methyloxolan-3-yl)methanamine?
The InChIKey is UBLRYYWOBFWXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-7-9(4-5-16-7)12(15)10-6-8(14)2-3-11(10)13/h2-3,6-7,9,12H,4-5,15H2,1H3.
What are the key properties of (2-chloro-5-fluorophenyl)-(2-methyloxolan-3-yl)methanamine?
(2-chloro-5-fluorophenyl)-(2-methyloxolan-3-yl)methanamine has a molecular weight of 243.71 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-(2-methyloxolan-3-yl)methanamine is sourced from PubChem (CID 105397164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).