(1S)-1-(3,4-difluoro-5-methoxyphenyl)-N-methylethanamine

C10H13F2NO — CID 130783775

IUPAC(1S)-1-(3,4-difluoro-5-methoxyphenyl)-N-methylethanamine
SMILESCN[C@@H](C)c1cc(F)c(F)c(OC)c1
InChIInChI=1S/C10H13F2NO/c1-6(13-2)7-4-8(11)10(12)9(5-7)14-3/h4-6,13H,1-3H3/t6-/m0/s1
InChIKeyLAUZICCNHWUZKR-LURJTMIESA-N
MW201.22 g/mol
LogP2.25
Rot. Bonds3

About (1S)-1-(3,4-difluoro-5-methoxyphenyl)-N-methylethanamine

(1S)-1-(3,4-difluoro-5-methoxyphenyl)-N-methylethanamine (PubChem CID 130783775) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is (1S)-1-(3,4-difluoro-5-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name(1S)-1-(3,4-difluoro-5-methoxyphenyl)-N-methylethanamine
PubChem CID130783775
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(1S)-1-(3,4-difluoro-5-methoxyphenyl)-N-methylethanamine
SMILESCN[C@@H](C)c1cc(F)c(F)c(OC)c1
InChIInChI=1S/C10H13F2NO/c1-6(13-2)7-4-8(11)10(12)9(5-7)14-3/h4-6,13H,1-3H3/t6-/m0/s1
InChIKeyLAUZICCNHWUZKR-LURJTMIESA-N
XLogP2.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-methoxy-4-[(1R)-1-(methylamino)ethyl]phenol
CID 55276230
(1S)-1-(3,4-difluoro-5-methoxyphenyl)ethanol
CID 97293354
1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-N-methylethanamine
CID 43285605
1-(4-bromo-3,5-difluorophenyl)-N-methylethanamine
CID 129130089
1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954300
3,4,5-trifluoro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]aniline
CID 83058996
3-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
CID 66436991
2-amino-2-(3,4-difluoro-5-methoxyphenyl)ethanol
CID 67606911
(2R)-2-amino-2-(3,4-difluoro-5-methoxyphenyl)ethanol
CID 66514185
1-[4-fluoro-3-(2-methoxy-5-methylphenyl)phenyl]-N-methylethanamine
CID 82540228
1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81288273
1-(3-fluoro-4-propan-2-ylsulfanylphenyl)-N-methylethanamine
CID 60884307

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3,4-difluoro-5-methoxyphenyl)-N-methylethanamine?
The IUPAC name of (1S)-1-(3,4-difluoro-5-methoxyphenyl)-N-methylethanamine (CID 130783775) is (1S)-1-(3,4-difluoro-5-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for (1S)-1-(3,4-difluoro-5-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for (1S)-1-(3,4-difluoro-5-methoxyphenyl)-N-methylethanamine is CN[C@@H](C)c1cc(F)c(F)c(OC)c1.
What is the InChIKey of (1S)-1-(3,4-difluoro-5-methoxyphenyl)-N-methylethanamine?
The InChIKey is LAUZICCNHWUZKR-LURJTMIESA-N. The full InChI is InChI=1S/C10H13F2NO/c1-6(13-2)7-4-8(11)10(12)9(5-7)14-3/h4-6,13H,1-3H3/t6-/m0/s1.
What are the key properties of (1S)-1-(3,4-difluoro-5-methoxyphenyl)-N-methylethanamine?
(1S)-1-(3,4-difluoro-5-methoxyphenyl)-N-methylethanamine has a molecular weight of 201.22 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3,4-difluoro-5-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 130783775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).