N-[[2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]propan-2-amine

C17H19F2NO — CID 62198279

IUPACN-[[2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1OCc1ccc(F)cc1F
InChIInChI=1S/C17H19F2NO/c1-12(2)20-10-13-5-3-4-6-17(13)21-11-14-7-8-15(18)9-16(14)19/h3-9,12,20H,10-11H2,1-2H3
InChIKeyNDPWYGAPZWVSPU-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.04
Rot. Bonds6

About N-[[2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]propan-2-amine

N-[[2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]propan-2-amine (PubChem CID 62198279) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is N-[[2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]propan-2-amine
PubChem CID62198279
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC NameN-[[2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1OCc1ccc(F)cc1F
InChIInChI=1S/C17H19F2NO/c1-12(2)20-10-13-5-3-4-6-17(13)21-11-14-7-8-15(18)9-16(14)19/h3-9,12,20H,10-11H2,1-2H3
InChIKeyNDPWYGAPZWVSPU-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(2-bromophenyl)methoxy]-5-fluorophenyl]methyl]propan-2-amine
CID 107696130
N-[[2-[(4-ethylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63500787
N-[[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 62484259
4-[[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol
CID 107696082
(1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63366143
N-[[2-(2-bromo-4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43282598
N-[[2-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]propan-2-amine
CID 66529430
(2R)-1-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51996946
N-[[2-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 43554911
(2R)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 40727318
N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]propan-2-amine
CID 66531623
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]propan-2-amine (CID 62198279) is N-[[2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]propan-2-amine is CC(C)NCc1ccccc1OCc1ccc(F)cc1F.
What is the InChIKey of N-[[2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]propan-2-amine?
The InChIKey is NDPWYGAPZWVSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-12(2)20-10-13-5-3-4-6-17(13)21-11-14-7-8-15(18)9-16(14)19/h3-9,12,20H,10-11H2,1-2H3.
What are the key properties of N-[[2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]propan-2-amine?
N-[[2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]propan-2-amine has a molecular weight of 291.34 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62198279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).