N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(oxan-4-yl)methanamine

C14H18ClF2NO2 — CID 62349799

IUPACN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(oxan-4-yl)methanamine
SMILESFC(F)Oc1ccc(Cl)cc1CNCC1CCOCC1
InChIInChI=1S/C14H18ClF2NO2/c15-12-1-2-13(20-14(16)17)11(7-12)9-18-8-10-3-5-19-6-4-10/h1-2,7,10,14,18H,3-6,8-9H2
InChIKeyCUVRDIARGIUQCH-UHFFFAOYSA-N
MW305.75 g/mol
LogP3.46
Rot. Bonds6

About N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(oxan-4-yl)methanamine

N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(oxan-4-yl)methanamine (PubChem CID 62349799) has the molecular formula C14H18ClF2NO2 and a molecular weight of 305.75 g/mol. Its IUPAC name is N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(oxan-4-yl)methanamine
PubChem CID62349799
Molecular FormulaC14H18ClF2NO2
Molecular Weight305.75 g/mol
Exact Mass305.10
IUPAC NameN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(oxan-4-yl)methanamine
SMILESFC(F)Oc1ccc(Cl)cc1CNCC1CCOCC1
InChIInChI=1S/C14H18ClF2NO2/c15-12-1-2-13(20-14(16)17)11(7-12)9-18-8-10-3-5-19-6-4-10/h1-2,7,10,14,18H,3-6,8-9H2
InChIKeyCUVRDIARGIUQCH-UHFFFAOYSA-N
XLogP3.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.75
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(oxan-4-yl)methanamine?
The IUPAC name of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(oxan-4-yl)methanamine (CID 62349799) is N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(oxan-4-yl)methanamine is FC(F)Oc1ccc(Cl)cc1CNCC1CCOCC1.
What is the InChIKey of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(oxan-4-yl)methanamine?
The InChIKey is CUVRDIARGIUQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF2NO2/c15-12-1-2-13(20-14(16)17)11(7-12)9-18-8-10-3-5-19-6-4-10/h1-2,7,10,14,18H,3-6,8-9H2.
What are the key properties of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(oxan-4-yl)methanamine?
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(oxan-4-yl)methanamine has a molecular weight of 305.75 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 62349799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).