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

C23H23FN2 — CID 126702575

IUPAC(1R)-4-[2,6-dimethyl-4-(4-methyl-2-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccnc(-c2cc(C)c(-c3ccc(F)c4c3CC[C@H]4N)c(C)c2)c1
InChIInChI=1S/C23H23FN2/c1-13-8-9-26-21(10-13)16-11-14(2)22(15(3)12-16)17-4-6-19(24)23-18(17)5-7-20(23)25/h4,6,8-12,20H,5,7,25H2,1-3H3/t20-/m1/s1
InChIKeyGOJMTQXVXQIRMF-HXUWFJFHSA-N
MW346.45 g/mol
LogP5.43
Rot. Bonds2

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

(1R)-4-[2,6-dimethyl-4-(4-methyl-2-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 126702575) has the molecular formula C23H23FN2 and a molecular weight of 346.45 g/mol. Its IUPAC name is (1R)-4-[2,6-dimethyl-4-(4-methyl-2-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R)-4-[2,6-dimethyl-4-(4-methyl-2-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID126702575
Molecular FormulaC23H23FN2
Molecular Weight346.45 g/mol
Exact Mass346.18
IUPAC Name(1R)-4-[2,6-dimethyl-4-(4-methyl-2-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccnc(-c2cc(C)c(-c3ccc(F)c4c3CC[C@H]4N)c(C)c2)c1
InChIInChI=1S/C23H23FN2/c1-13-8-9-26-21(10-13)16-11-14(2)22(15(3)12-16)17-4-6-19(24)23-18(17)5-7-20(23)25/h4,6,8-12,20H,5,7,25H2,1-3H3/t20-/m1/s1
InChIKeyGOJMTQXVXQIRMF-HXUWFJFHSA-N
XLogP5.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.45
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-4-[2,6-dimethyl-4-(4-methyl-2-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine with MolForge

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Related Compounds

N-[(2s)-5-(6-Fluoro-3-Pyridinyl)-2,3-Dihydro-1h-Inden-2-Yl]-2-Propanesulfonamide
CID 46398805
3-{[(1E)-4-methyl-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539775
(Isoquinolinemethylene)indane 30a
CID 6539812
(3-Pyridylmethylene)indane 38a
CID 6539814
3-(1,2-Dihydroacenaphthylen-3-yl)pyridine
CID 11586681
4-[6-(4-Fluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine
CID 25033735
N-methyl-N-(2-(2-pyridinyl)ethyl)-9H-fluoren-2-amine
CID 409833
4-{[(1E)-6-methyl-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539803
(4-Pyridylmethylene)indane 22b
CID 6539804
5-{[(1Z)-5-fluoro-2,3-dihydro-1H-inden-1-ylidene]methyl}isoquinoline
CID 6539813
3-(1,2-Dihydroacenaphthylen-5-yl)pyridine
CID 23644953
4-[6-(4-fluorophenyl)-1H-inden-3-yl]pyridine
CID 25033733

Frequently Asked Questions

What is the IUPAC name of (1R)-4-[2,6-dimethyl-4-(4-methyl-2-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R)-4-[2,6-dimethyl-4-(4-methyl-2-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine (CID 126702575) is (1R)-4-[2,6-dimethyl-4-(4-methyl-2-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R)-4-[2,6-dimethyl-4-(4-methyl-2-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R)-4-[2,6-dimethyl-4-(4-methyl-2-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine is Cc1ccnc(-c2cc(C)c(-c3ccc(F)c4c3CC[C@H]4N)c(C)c2)c1.
What is the InChIKey of (1R)-4-[2,6-dimethyl-4-(4-methyl-2-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is GOJMTQXVXQIRMF-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23FN2/c1-13-8-9-26-21(10-13)16-11-14(2)22(15(3)12-16)17-4-6-19(24)23-18(17)5-7-20(23)25/h4,6,8-12,20H,5,7,25H2,1-3H3/t20-/m1/s1.
What are the key properties of (1R)-4-[2,6-dimethyl-4-(4-methyl-2-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine?
(1R)-4-[2,6-dimethyl-4-(4-methyl-2-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 346.45 g/mol, XLogP of 5.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-[2,6-dimethyl-4-(4-methyl-2-pyridinyl)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 126702575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).