N-[[2-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine

C16H17F2NO — CID 43554911

IUPACN-[[2-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C16H17F2NO/c1-11(2)19-10-12-5-3-4-6-16(12)20-13-7-8-14(17)15(18)9-13/h3-9,11,19H,10H2,1-2H3
InChIKeyKMOCZSYRKFNURO-UHFFFAOYSA-N
MW277.31 g/mol
LogP4.26
Rot. Bonds5

About N-[[2-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine

N-[[2-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine (PubChem CID 43554911) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is N-[[2-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine
PubChem CID43554911
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC NameN-[[2-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C16H17F2NO/c1-11(2)19-10-12-5-3-4-6-16(12)20-13-7-8-14(17)15(18)9-13/h3-9,11,19H,10H2,1-2H3
InChIKeyKMOCZSYRKFNURO-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(3-methylphenoxy)phenyl]methyl]propan-2-amine
CID 43283112
N-[[2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]propan-2-amine
CID 43283537
N-[[4-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114855683
N-[[2-(1,3-benzodioxol-5-yloxy)phenyl]methyl]propan-2-amine
CID 43282411
N-[[5-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114855675
N-[[5-chloro-2-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-2-amine
CID 107169862
N-[[3-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 63942324
N-[[2-(4-bromo-2-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43283629
N-[[2-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]propan-2-amine
CID 43283842
N-[[4-chloro-2-(3-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114855809
N-[(2-pyridin-3-yloxyphenyl)methyl]propan-2-amine
CID 43283723
3-[2-(3,4-difluorophenoxy)phenyl]propan-1-ol
CID 53434345

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine (CID 43554911) is N-[[2-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine is CC(C)NCc1ccccc1Oc1ccc(F)c(F)c1.
What is the InChIKey of N-[[2-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine?
The InChIKey is KMOCZSYRKFNURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-11(2)19-10-12-5-3-4-6-16(12)20-13-7-8-14(17)15(18)9-13/h3-9,11,19H,10H2,1-2H3.
What are the key properties of N-[[2-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine?
N-[[2-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine has a molecular weight of 277.31 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 43554911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).