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

C18H18FN5 — CID 126702562

IUPAC(1R)-4-[2,6-dimethyl-4-(2H-tetrazol-5-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCc1cc(-c2nn[nH]n2)cc(C)c1-c1ccc(F)c2c1CC[C@H]2N
InChIInChI=1S/C18H18FN5/c1-9-7-11(18-21-23-24-22-18)8-10(2)16(9)12-3-5-14(19)17-13(12)4-6-15(17)20/h3,5,7-8,15H,4,6,20H2,1-2H3,(H,21,22,23,24)/t15-/m1/s1
InChIKeyVRVLWPJPKWZVQP-OAHLLOKOSA-N
MW323.38 g/mol
LogP3.24
Rot. Bonds2

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

(1R)-4-[2,6-dimethyl-4-(2H-tetrazol-5-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 126702562) has the molecular formula C18H18FN5 and a molecular weight of 323.38 g/mol. Its IUPAC name is (1R)-4-[2,6-dimethyl-4-(2H-tetrazol-5-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R)-4-[2,6-dimethyl-4-(2H-tetrazol-5-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID126702562
Molecular FormulaC18H18FN5
Molecular Weight323.38 g/mol
Exact Mass323.15
IUPAC Name(1R)-4-[2,6-dimethyl-4-(2H-tetrazol-5-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCc1cc(-c2nn[nH]n2)cc(C)c1-c1ccc(F)c2c1CC[C@H]2N
InChIInChI=1S/C18H18FN5/c1-9-7-11(18-21-23-24-22-18)8-10(2)16(9)12-3-5-14(19)17-13(12)4-6-15(17)20/h3,5,7-8,15H,4,6,20H2,1-2H3,(H,21,22,23,24)/t15-/m1/s1
InChIKeyVRVLWPJPKWZVQP-OAHLLOKOSA-N
XLogP3.24
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-4-[2,6-dimethyl-4-(2H-tetrazol-5-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R)-4-[2,6-dimethyl-4-(2H-tetrazol-5-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine (CID 126702562) is (1R)-4-[2,6-dimethyl-4-(2H-tetrazol-5-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R)-4-[2,6-dimethyl-4-(2H-tetrazol-5-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R)-4-[2,6-dimethyl-4-(2H-tetrazol-5-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine is Cc1cc(-c2nn[nH]n2)cc(C)c1-c1ccc(F)c2c1CC[C@H]2N.
What is the InChIKey of (1R)-4-[2,6-dimethyl-4-(2H-tetrazol-5-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is VRVLWPJPKWZVQP-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18FN5/c1-9-7-11(18-21-23-24-22-18)8-10(2)16(9)12-3-5-14(19)17-13(12)4-6-15(17)20/h3,5,7-8,15H,4,6,20H2,1-2H3,(H,21,22,23,24)/t15-/m1/s1.
What are the key properties of (1R)-4-[2,6-dimethyl-4-(2H-tetrazol-5-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine?
(1R)-4-[2,6-dimethyl-4-(2H-tetrazol-5-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 323.38 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-[2,6-dimethyl-4-(2H-tetrazol-5-yl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 126702562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).