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

C16H17F2NO — CID 63942324

IUPACN-[[3-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(Oc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H17F2NO/c1-11(2)19-10-12-4-3-5-13(8-12)20-14-6-7-15(17)16(18)9-14/h3-9,11,19H,10H2,1-2H3
InChIKeyMYTZSJUMHPFBBT-UHFFFAOYSA-N
MW277.31 g/mol
LogP4.26
Rot. Bonds5

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

N-[[3-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine (PubChem CID 63942324) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is N-[[3-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine
PubChem CID63942324
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC NameN-[[3-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(Oc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H17F2NO/c1-11(2)19-10-12-4-3-5-13(8-12)20-14-6-7-15(17)16(18)9-14/h3-9,11,19H,10H2,1-2H3
InChIKeyMYTZSJUMHPFBBT-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-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine
CID 63943086
N-[[3-(2,3-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 63943700
N-[[3-(3,4-dichlorophenoxy)phenyl]methyl]propan-2-amine
CID 63944292
N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]phenoxy]aniline
CID 63942132
N-[[2-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 43554911
N-[[3-(2-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63942707
N-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-2-amine;hydrochloride
CID 17213643
2-[3-(3,4-difluorophenoxy)phenyl]ethanamine
CID 63941961
N-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43283333
1-[3-(3,4-difluorophenoxy)phenyl]-N-ethylethanamine
CID 79167388
N-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39372695
N-[(3-fluoro-4-phenoxyphenyl)methyl]propan-2-amine
CID 43283192

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine (CID 63942324) is N-[[3-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine is CC(C)NCc1cccc(Oc2ccc(F)c(F)c2)c1.
What is the InChIKey of N-[[3-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine?
The InChIKey is MYTZSJUMHPFBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-11(2)19-10-12-4-3-5-13(8-12)20-14-6-7-15(17)16(18)9-14/h3-9,11,19H,10H2,1-2H3.
What are the key properties of N-[[3-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine?
N-[[3-(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-[[3-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63942324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).