N-[[1-(2-fluoro-5-methylphenoxy)cyclopropyl]methyl]-2-methylpropan-2-amine

C15H22FNO — CID 114199554

IUPACN-[[1-(2-fluoro-5-methylphenoxy)cyclopropyl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(F)c(OC2(CNC(C)(C)C)CC2)c1
InChIInChI=1S/C15H22FNO/c1-11-5-6-12(16)13(9-11)18-15(7-8-15)10-17-14(2,3)4/h5-6,9,17H,7-8,10H2,1-4H3
InChIKeyCTVSPKXFZCLVGG-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.43
Rot. Bonds4

About N-[[1-(2-fluoro-5-methylphenoxy)cyclopropyl]methyl]-2-methylpropan-2-amine

N-[[1-(2-fluoro-5-methylphenoxy)cyclopropyl]methyl]-2-methylpropan-2-amine (PubChem CID 114199554) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-[[1-(2-fluoro-5-methylphenoxy)cyclopropyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-fluoro-5-methylphenoxy)cyclopropyl]methyl]-2-methylpropan-2-amine
PubChem CID114199554
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-[[1-(2-fluoro-5-methylphenoxy)cyclopropyl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(F)c(OC2(CNC(C)(C)C)CC2)c1
InChIInChI=1S/C15H22FNO/c1-11-5-6-12(16)13(9-11)18-15(7-8-15)10-17-14(2,3)4/h5-6,9,17H,7-8,10H2,1-4H3
InChIKeyCTVSPKXFZCLVGG-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 90668696

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluoro-5-methylphenoxy)cyclopropyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(2-fluoro-5-methylphenoxy)cyclopropyl]methyl]-2-methylpropan-2-amine (CID 114199554) is N-[[1-(2-fluoro-5-methylphenoxy)cyclopropyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(2-fluoro-5-methylphenoxy)cyclopropyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(2-fluoro-5-methylphenoxy)cyclopropyl]methyl]-2-methylpropan-2-amine is Cc1ccc(F)c(OC2(CNC(C)(C)C)CC2)c1.
What is the InChIKey of N-[[1-(2-fluoro-5-methylphenoxy)cyclopropyl]methyl]-2-methylpropan-2-amine?
The InChIKey is CTVSPKXFZCLVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-11-5-6-12(16)13(9-11)18-15(7-8-15)10-17-14(2,3)4/h5-6,9,17H,7-8,10H2,1-4H3.
What are the key properties of N-[[1-(2-fluoro-5-methylphenoxy)cyclopropyl]methyl]-2-methylpropan-2-amine?
N-[[1-(2-fluoro-5-methylphenoxy)cyclopropyl]methyl]-2-methylpropan-2-amine has a molecular weight of 251.34 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluoro-5-methylphenoxy)cyclopropyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114199554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).