[(2R)-8-(3-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;methane

C17H18ClF2NO — CID 161344275

IUPAC[(2R)-8-(3-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;methane
SMILESC.NC[C@H]1CCc2cc(F)cc(-c3cccc(Cl)c3F)c2O1
InChIInChI=1S/C16H14ClF2NO.CH4/c17-14-3-1-2-12(15(14)19)13-7-10(18)6-9-4-5-11(8-20)21-16(9)13;/h1-3,6-7,11H,4-5,8,20H2;1H4/t11-;/m1./s1
InChIKeyVNBZBQQLCDBVEV-RFVHGSKJSA-N
MW325.79 g/mol
LogP4.57
Rot. Bonds2

About [(2R)-8-(3-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;methane

[(2R)-8-(3-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;methane (PubChem CID 161344275) has the molecular formula C17H18ClF2NO and a molecular weight of 325.79 g/mol. Its IUPAC name is [(2R)-8-(3-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;methane.

Molecular Properties

Compound Name[(2R)-8-(3-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;methane
PubChem CID161344275
Molecular FormulaC17H18ClF2NO
Molecular Weight325.79 g/mol
Exact Mass325.10
IUPAC Name[(2R)-8-(3-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;methane
SMILESC.NC[C@H]1CCc2cc(F)cc(-c3cccc(Cl)c3F)c2O1
InChIInChI=1S/C16H14ClF2NO.CH4/c17-14-3-1-2-12(15(14)19)13-7-10(18)6-9-4-5-11(8-20)21-16(9)13;/h1-3,6-7,11H,4-5,8,20H2;1H4/t11-;/m1./s1
InChIKeyVNBZBQQLCDBVEV-RFVHGSKJSA-N
XLogP4.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2R)-8-(3-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-6-fluoro-8-(2-phenylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;hydrochloride
CID 69117682
[(2R)-6-fluoro-8-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine
CID 15940770
[(2R)-6-fluoro-8-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine
CID 59701580
(2R)-2-(aminomethyl)-8-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-7-ol
CID 25010103
(2R)-2-(azidomethyl)-8-(2,6-dichlorophenyl)-6-fluoro-3,4-dihydro-2H-chromene
CID 86609116
4-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-3-(trifluoromethyl)phenol
CID 70301922
[(2R)-6-fluoro-8-[4-fluoro-2-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]methanamine
CID 58755016
[(2S)-8-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;hydrochloride
CID 69117647
[(2S)-8-(2,5-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;hydrochloride
CID 69117417
(2S)-7-(2,6-dichlorophenyl)-2-ethyl-5-fluoro-2,3-dihydro-1-benzofuran;[(2R)-7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine;hydrochloride
CID 158978054
4-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-5-(trifluoromethyl)benzene-1,2-diol
CID 25010106
[(2R)-6-chloro-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine
CID 59664219

Frequently Asked Questions

What is the IUPAC name of [(2R)-8-(3-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;methane?
The IUPAC name of [(2R)-8-(3-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;methane (CID 161344275) is [(2R)-8-(3-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;methane.
What is the SMILES notation for [(2R)-8-(3-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;methane?
The canonical SMILES for [(2R)-8-(3-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;methane is C.NC[C@H]1CCc2cc(F)cc(-c3cccc(Cl)c3F)c2O1.
What is the InChIKey of [(2R)-8-(3-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;methane?
The InChIKey is VNBZBQQLCDBVEV-RFVHGSKJSA-N. The full InChI is InChI=1S/C16H14ClF2NO.CH4/c17-14-3-1-2-12(15(14)19)13-7-10(18)6-9-4-5-11(8-20)21-16(9)13;/h1-3,6-7,11H,4-5,8,20H2;1H4/t11-;/m1./s1.
What are the key properties of [(2R)-8-(3-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;methane?
[(2R)-8-(3-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;methane has a molecular weight of 325.79 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-8-(3-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine;methane is sourced from PubChem (CID 161344275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).