N-[(2,4-difluorophenyl)methyl]-3-methyloxan-3-amine

C13H17F2NO — CID 113347998

IUPACN-[(2,4-difluorophenyl)methyl]-3-methyloxan-3-amine
SMILESCC1(NCc2ccc(F)cc2F)CCCOC1
InChIInChI=1S/C13H17F2NO/c1-13(5-2-6-17-9-13)16-8-10-3-4-11(14)7-12(10)15/h3-4,7,16H,2,5-6,8-9H2,1H3
InChIKeyIOGIRTJTPVOMII-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.62
Rot. Bonds3

About N-[(2,4-difluorophenyl)methyl]-3-methyloxan-3-amine

N-[(2,4-difluorophenyl)methyl]-3-methyloxan-3-amine (PubChem CID 113347998) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-3-methyloxan-3-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-3-methyloxan-3-amine
PubChem CID113347998
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC NameN-[(2,4-difluorophenyl)methyl]-3-methyloxan-3-amine
SMILESCC1(NCc2ccc(F)cc2F)CCCOC1
InChIInChI=1S/C13H17F2NO/c1-13(5-2-6-17-9-13)16-8-10-3-4-11(14)7-12(10)15/h3-4,7,16H,2,5-6,8-9H2,1H3
InChIKeyIOGIRTJTPVOMII-UHFFFAOYSA-N
XLogP2.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-amino-3-fluorophenyl)methyl]-3-methyloxan-3-amine
CID 114113972
N-[(3,4-difluorophenyl)methyl]-3-methyloxan-3-amine
CID 113348018
N-[(2,3-dichlorophenyl)methyl]-3-methyloxan-3-amine
CID 103897522
N-[(4-bromo-2-fluorophenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765891
N-[2-[[(3-methyloxan-3-yl)amino]methyl]phenyl]acetamide
CID 103897392
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-methyloxan-3-amine
CID 103897407
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methyloxan-3-amine
CID 103897497
N-[(5-fluoro-2-methylphenyl)methyl]-1-methylcyclopentan-1-amine
CID 115968076
N-[(3-chloro-4-methylphenyl)methyl]-3-methyloxan-3-amine
CID 106833865
N-[(5-bromo-2-nitrophenyl)methyl]-3-methyloxan-3-amine
CID 103933774
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methyloxan-3-amine
CID 103897511
2-[[(3-methyloxolan-3-yl)amino]methyl]phenol
CID 115768602

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-methyloxan-3-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-methyloxan-3-amine (CID 113347998) is N-[(2,4-difluorophenyl)methyl]-3-methyloxan-3-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-3-methyloxan-3-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-3-methyloxan-3-amine is CC1(NCc2ccc(F)cc2F)CCCOC1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-3-methyloxan-3-amine?
The InChIKey is IOGIRTJTPVOMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-13(5-2-6-17-9-13)16-8-10-3-4-11(14)7-12(10)15/h3-4,7,16H,2,5-6,8-9H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-3-methyloxan-3-amine?
N-[(2,4-difluorophenyl)methyl]-3-methyloxan-3-amine has a molecular weight of 241.28 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-3-methyloxan-3-amine is sourced from PubChem (CID 113347998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).