(1S)-1-[3-chloro-4-(3-fluoro-N-methylanilino)phenyl]ethanol

C15H15ClFNO — CID 55184681

IUPAC(1S)-1-[3-chloro-4-(3-fluoro-N-methylanilino)phenyl]ethanol
SMILESC[C@H](O)c1ccc(N(C)c2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-10(19)11-6-7-15(14(16)8-11)18(2)13-5-3-4-12(17)9-13/h3-10,19H,1-2H3/t10-/m0/s1
InChIKeyUGNFHBDPZCNYFL-JTQLQIEISA-N
MW279.74 g/mol
LogP4.30
Rot. Bonds3

About (1S)-1-[3-chloro-4-(3-fluoro-N-methylanilino)phenyl]ethanol

(1S)-1-[3-chloro-4-(3-fluoro-N-methylanilino)phenyl]ethanol (PubChem CID 55184681) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is (1S)-1-[3-chloro-4-(3-fluoro-N-methylanilino)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-chloro-4-(3-fluoro-N-methylanilino)phenyl]ethanol
PubChem CID55184681
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name(1S)-1-[3-chloro-4-(3-fluoro-N-methylanilino)phenyl]ethanol
SMILESC[C@H](O)c1ccc(N(C)c2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-10(19)11-6-7-15(14(16)8-11)18(2)13-5-3-4-12(17)9-13/h3-10,19H,1-2H3/t10-/m0/s1
InChIKeyUGNFHBDPZCNYFL-JTQLQIEISA-N
XLogP4.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-chloro-4-(3-fluoro-N-methylanilino)phenyl]ethanol?
The IUPAC name of (1S)-1-[3-chloro-4-(3-fluoro-N-methylanilino)phenyl]ethanol (CID 55184681) is (1S)-1-[3-chloro-4-(3-fluoro-N-methylanilino)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-chloro-4-(3-fluoro-N-methylanilino)phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-chloro-4-(3-fluoro-N-methylanilino)phenyl]ethanol is C[C@H](O)c1ccc(N(C)c2cccc(F)c2)c(Cl)c1.
What is the InChIKey of (1S)-1-[3-chloro-4-(3-fluoro-N-methylanilino)phenyl]ethanol?
The InChIKey is UGNFHBDPZCNYFL-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10(19)11-6-7-15(14(16)8-11)18(2)13-5-3-4-12(17)9-13/h3-10,19H,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[3-chloro-4-(3-fluoro-N-methylanilino)phenyl]ethanol?
(1S)-1-[3-chloro-4-(3-fluoro-N-methylanilino)phenyl]ethanol has a molecular weight of 279.74 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-chloro-4-(3-fluoro-N-methylanilino)phenyl]ethanol is sourced from PubChem (CID 55184681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).