(1R)-4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine

C19H20FN5 — CID 126511665

IUPAC(1R)-4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCc1cc(-c2nnn(C)n2)cc(C)c1-c1ccc(F)c2c1CC[C@H]2N
InChIInChI=1S/C19H20FN5/c1-10-8-12(19-22-24-25(3)23-19)9-11(2)17(10)13-4-6-15(20)18-14(13)5-7-16(18)21/h4,6,8-9,16H,5,7,21H2,1-3H3/t16-/m1/s1
InChIKeyZCFJPAMHWGULGH-MRXNPFEDSA-N
MW337.40 g/mol
LogP3.25
Rot. Bonds2

About (1R)-4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine

(1R)-4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 126511665) has the molecular formula C19H20FN5 and a molecular weight of 337.40 g/mol. Its IUPAC name is (1R)-4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R)-4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID126511665
Molecular FormulaC19H20FN5
Molecular Weight337.40 g/mol
Exact Mass337.17
IUPAC Name(1R)-4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCc1cc(-c2nnn(C)n2)cc(C)c1-c1ccc(F)c2c1CC[C@H]2N
InChIInChI=1S/C19H20FN5/c1-10-8-12(19-22-24-25(3)23-19)9-11(2)17(10)13-4-6-15(20)18-14(13)5-7-16(18)21/h4,6,8-9,16H,5,7,21H2,1-3H3/t16-/m1/s1
InChIKeyZCFJPAMHWGULGH-MRXNPFEDSA-N
XLogP3.25
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R)-4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine (CID 126511665) is (1R)-4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R)-4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R)-4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine is Cc1cc(-c2nnn(C)n2)cc(C)c1-c1ccc(F)c2c1CC[C@H]2N.
What is the InChIKey of (1R)-4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is ZCFJPAMHWGULGH-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20FN5/c1-10-8-12(19-22-24-25(3)23-19)9-11(2)17(10)13-4-6-15(20)18-14(13)5-7-16(18)21/h4,6,8-9,16H,5,7,21H2,1-3H3/t16-/m1/s1.
What are the key properties of (1R)-4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine?
(1R)-4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 337.40 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 126511665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).