N-[[4-(2-fluoro-5-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine

C18H22FNO — CID 64854465

IUPACN-[[4-(2-fluoro-5-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(F)c(Oc2ccc(CNC(C)(C)C)cc2)c1
InChIInChI=1S/C18H22FNO/c1-13-5-10-16(19)17(11-13)21-15-8-6-14(7-9-15)12-20-18(2,3)4/h5-11,20H,12H2,1-4H3
InChIKeyPECMFMWJDUHWRT-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.81
Rot. Bonds4

About N-[[4-(2-fluoro-5-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine

N-[[4-(2-fluoro-5-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 64854465) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[[4-(2-fluoro-5-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(2-fluoro-5-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID64854465
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[[4-(2-fluoro-5-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(F)c(Oc2ccc(CNC(C)(C)C)cc2)c1
InChIInChI=1S/C18H22FNO/c1-13-5-10-16(19)17(11-13)21-15-8-6-14(7-9-15)12-20-18(2,3)4/h5-11,20H,12H2,1-4H3
InChIKeyPECMFMWJDUHWRT-UHFFFAOYSA-N
XLogP4.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-fluoro-5-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(2-fluoro-5-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 64854465) is N-[[4-(2-fluoro-5-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(2-fluoro-5-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(2-fluoro-5-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine is Cc1ccc(F)c(Oc2ccc(CNC(C)(C)C)cc2)c1.
What is the InChIKey of N-[[4-(2-fluoro-5-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is PECMFMWJDUHWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-13-5-10-16(19)17(11-13)21-15-8-6-14(7-9-15)12-20-18(2,3)4/h5-11,20H,12H2,1-4H3.
What are the key properties of N-[[4-(2-fluoro-5-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[4-(2-fluoro-5-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 287.38 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-fluoro-5-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 64854465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).