(1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine

C9H11ClFN — CID 55276652

IUPAC(1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
SMILESCN[C@H](C)c1ccc(Cl)cc1F
InChIInChI=1S/C9H11ClFN/c1-6(12-2)8-4-3-7(10)5-9(8)11/h3-6,12H,1-2H3/t6-/m1/s1
InChIKeyRRYMHAAKZRKVPP-ZCFIWIBFSA-N
MW187.65 g/mol
LogP2.76
Rot. Bonds2

About (1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine

(1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine (PubChem CID 55276652) has the molecular formula C9H11ClFN and a molecular weight of 187.65 g/mol. Its IUPAC name is (1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name(1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
PubChem CID55276652
Molecular FormulaC9H11ClFN
Molecular Weight187.65 g/mol
Exact Mass187.06
IUPAC Name(1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
SMILESCN[C@H](C)c1ccc(Cl)cc1F
InChIInChI=1S/C9H11ClFN/c1-6(12-2)8-4-3-7(10)5-9(8)11/h3-6,12H,1-2H3/t6-/m1/s1
InChIKeyRRYMHAAKZRKVPP-ZCFIWIBFSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-2-fluorophenyl)-2,2-difluoro-N-methylethanamine
CID 103759854
3-(4-chloro-2-fluorophenyl)-N,2-dimethylbutan-1-amine
CID 81015779
(1S)-1-(2-bromo-5-chlorophenyl)-N-methylethanamine
CID 131168067
4-chloro-2-[(1S)-1-(methylamino)ethyl]phenol
CID 94343743
5-chloro-2-[(1S)-1-(methylamino)ethyl]benzonitrile
CID 131209269
1-(4-chloro-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
CID 105022658
1-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114906262
1-butan-2-yl-4-chloro-2-fluorobenzene
CID 54159004
1-(4-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 55180207
1-[2-chloro-4-(2,3,4-trifluorophenyl)phenyl]-N-methylethanamine
CID 82781900
3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]butan-2-ol
CID 107716497
1-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 43486782

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine?
The IUPAC name of (1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine (CID 55276652) is (1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for (1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine?
The canonical SMILES for (1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine is CN[C@H](C)c1ccc(Cl)cc1F.
What is the InChIKey of (1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine?
The InChIKey is RRYMHAAKZRKVPP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11ClFN/c1-6(12-2)8-4-3-7(10)5-9(8)11/h3-6,12H,1-2H3/t6-/m1/s1.
What are the key properties of (1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine?
(1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine has a molecular weight of 187.65 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 55276652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).