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

C12H15ClFNO — CID 105396850

IUPAC(2-chloro-5-fluorophenyl)-(5-methyloxolan-2-yl)methanamine
SMILESCC1CCC(C(N)c2cc(F)ccc2Cl)O1
InChIInChI=1S/C12H15ClFNO/c1-7-2-5-11(16-7)12(15)9-6-8(14)3-4-10(9)13/h3-4,6-7,11-12H,2,5,15H2,1H3
InChIKeyPCKZLAHHGIHMRG-UHFFFAOYSA-N
MW243.71 g/mol
LogP3.05
Rot. Bonds2

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

(2-chloro-5-fluorophenyl)-(5-methyloxolan-2-yl)methanamine (PubChem CID 105396850) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-(5-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-(5-methyloxolan-2-yl)methanamine
PubChem CID105396850
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name(2-chloro-5-fluorophenyl)-(5-methyloxolan-2-yl)methanamine
SMILESCC1CCC(C(N)c2cc(F)ccc2Cl)O1
InChIInChI=1S/C12H15ClFNO/c1-7-2-5-11(16-7)12(15)9-6-8(14)3-4-10(9)13/h3-4,6-7,11-12H,2,5,15H2,1H3
InChIKeyPCKZLAHHGIHMRG-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichlorophenyl)-(5-methyloxolan-2-yl)methanamine
CID 81331291
(2-chloro-5-fluorophenyl)-(oxan-2-yl)methanamine
CID 105397026
(2-chloro-5-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 105397164
(2-chlorothiophen-3-yl)-(5-methyloxolan-2-yl)methanamine
CID 126985799
(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine
CID 131512229
(4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanamine
CID 105006851
(2-fluoro-4,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine
CID 81331181
(3-chlorophenyl)-(5-methyloxolan-2-yl)methanamine
CID 115811426
(2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanamine
CID 105395270
[(2,5-dichlorophenyl)-(5-methyloxolan-2-yl)methyl]hydrazine
CID 105302085
(4-fluoro-2-methylphenyl)-(5-methyloxolan-2-yl)methanol
CID 82838250
2-(3-chloro-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanamine
CID 103043101

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-(5-methyloxolan-2-yl)methanamine?
The IUPAC name of (2-chloro-5-fluorophenyl)-(5-methyloxolan-2-yl)methanamine (CID 105396850) is (2-chloro-5-fluorophenyl)-(5-methyloxolan-2-yl)methanamine.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-(5-methyloxolan-2-yl)methanamine?
The canonical SMILES for (2-chloro-5-fluorophenyl)-(5-methyloxolan-2-yl)methanamine is CC1CCC(C(N)c2cc(F)ccc2Cl)O1.
What is the InChIKey of (2-chloro-5-fluorophenyl)-(5-methyloxolan-2-yl)methanamine?
The InChIKey is PCKZLAHHGIHMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-7-2-5-11(16-7)12(15)9-6-8(14)3-4-10(9)13/h3-4,6-7,11-12H,2,5,15H2,1H3.
What are the key properties of (2-chloro-5-fluorophenyl)-(5-methyloxolan-2-yl)methanamine?
(2-chloro-5-fluorophenyl)-(5-methyloxolan-2-yl)methanamine has a molecular weight of 243.71 g/mol, XLogP of 3.05, 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)-(5-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 105396850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).