(1R,2R)-6-fluoro-5-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine;hydrochloride

C17H19ClFNO — CID 11301267

IUPAC(1R,2R)-6-fluoro-5-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
SMILESCN[C@@H]1Cc2cc(OC)c(F)cc2[C@H]1c1ccccc1.Cl
InChIInChI=1S/C17H18FNO.ClH/c1-19-15-8-12-9-16(20-2)14(18)10-13(12)17(15)11-6-4-3-5-7-11;/h3-7,9-10,15,17,19H,8H2,1-2H3;1H/t15-,17-;/m1./s1
InChIKeyAPNBBDIXKGRUKM-SSPJITILSA-N
MW307.80 g/mol
LogP3.53
Rot. Bonds3

About (1R,2R)-6-fluoro-5-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine;hydrochloride

(1R,2R)-6-fluoro-5-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine;hydrochloride (PubChem CID 11301267) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is (1R,2R)-6-fluoro-5-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine;hydrochloride.

Molecular Properties

Compound Name(1R,2R)-6-fluoro-5-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
PubChem CID11301267
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name(1R,2R)-6-fluoro-5-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
SMILESCN[C@@H]1Cc2cc(OC)c(F)cc2[C@H]1c1ccccc1.Cl
InChIInChI=1S/C17H18FNO.ClH/c1-19-15-8-12-9-16(20-2)14(18)10-13(12)17(15)11-6-4-3-5-7-11;/h3-7,9-10,15,17,19H,8H2,1-2H3;1H/t15-,17-;/m1./s1
InChIKeyAPNBBDIXKGRUKM-SSPJITILSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-6-fluoro-5-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The IUPAC name of (1R,2R)-6-fluoro-5-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine;hydrochloride (CID 11301267) is (1R,2R)-6-fluoro-5-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine;hydrochloride.
What is the SMILES notation for (1R,2R)-6-fluoro-5-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The canonical SMILES for (1R,2R)-6-fluoro-5-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine;hydrochloride is CN[C@@H]1Cc2cc(OC)c(F)cc2[C@H]1c1ccccc1.Cl.
What is the InChIKey of (1R,2R)-6-fluoro-5-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The InChIKey is APNBBDIXKGRUKM-SSPJITILSA-N. The full InChI is InChI=1S/C17H18FNO.ClH/c1-19-15-8-12-9-16(20-2)14(18)10-13(12)17(15)11-6-4-3-5-7-11;/h3-7,9-10,15,17,19H,8H2,1-2H3;1H/t15-,17-;/m1./s1.
What are the key properties of (1R,2R)-6-fluoro-5-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
(1R,2R)-6-fluoro-5-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine;hydrochloride has a molecular weight of 307.80 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-6-fluoro-5-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine;hydrochloride is sourced from PubChem (CID 11301267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).