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

C12H15ClFNO — CID 105397026

IUPAC(2-chloro-5-fluorophenyl)-(oxan-2-yl)methanamine
SMILESNC(c1cc(F)ccc1Cl)C1CCCCO1
InChIInChI=1S/C12H15ClFNO/c13-10-5-4-8(14)7-9(10)12(15)11-3-1-2-6-16-11/h4-5,7,11-12H,1-3,6,15H2
InChIKeyNAOBPOXWQSBVLH-UHFFFAOYSA-N
MW243.71 g/mol
LogP3.05
Rot. Bonds2

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

(2-chloro-5-fluorophenyl)-(oxan-2-yl)methanamine (PubChem CID 105397026) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-(oxan-2-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-(oxan-2-yl)methanamine
PubChem CID105397026
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name(2-chloro-5-fluorophenyl)-(oxan-2-yl)methanamine
SMILESNC(c1cc(F)ccc1Cl)C1CCCCO1
InChIInChI=1S/C12H15ClFNO/c13-10-5-4-8(14)7-9(10)12(15)11-3-1-2-6-16-11/h4-5,7,11-12H,1-3,6,15H2
InChIKeyNAOBPOXWQSBVLH-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

(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine
CID 131512229
(2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanamine
CID 105395270
(2-chloro-5-fluorophenyl)-(5-methyloxolan-2-yl)methanamine
CID 105396850
(2-chloro-5-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 105397164
(2,4-difluorophenyl)-(oxan-2-yl)methanol
CID 62214447
(2,5-dichlorothiophen-3-yl)-(oxolan-2-yl)methanamine
CID 43344806
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 43772020
2-(5-fluoro-2-methylphenyl)-1-(oxan-2-yl)ethanamine
CID 105377396
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanamine
CID 113425437
(2-chloro-5-fluorophenyl)-(thiolan-3-yl)methanamine
CID 105397355
(4-chloro-3-methoxyphenyl)-(oxolan-2-yl)methanamine
CID 79699913
(3-fluoro-4-methoxyphenyl)-(oxan-2-yl)methanamine
CID 62215307

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-(oxan-2-yl)methanamine?
The IUPAC name of (2-chloro-5-fluorophenyl)-(oxan-2-yl)methanamine (CID 105397026) is (2-chloro-5-fluorophenyl)-(oxan-2-yl)methanamine.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-(oxan-2-yl)methanamine?
The canonical SMILES for (2-chloro-5-fluorophenyl)-(oxan-2-yl)methanamine is NC(c1cc(F)ccc1Cl)C1CCCCO1.
What is the InChIKey of (2-chloro-5-fluorophenyl)-(oxan-2-yl)methanamine?
The InChIKey is NAOBPOXWQSBVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c13-10-5-4-8(14)7-9(10)12(15)11-3-1-2-6-16-11/h4-5,7,11-12H,1-3,6,15H2.
What are the key properties of (2-chloro-5-fluorophenyl)-(oxan-2-yl)methanamine?
(2-chloro-5-fluorophenyl)-(oxan-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)-(oxan-2-yl)methanamine is sourced from PubChem (CID 105397026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).