(2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole

C17H19N — CID 7047714

IUPAC(2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
SMILESCC(C)c1ccc([C@@H]2Cc3ccccc3N2)cc1
InChIInChI=1S/C17H19N/c1-12(2)13-7-9-14(10-8-13)17-11-15-5-3-4-6-16(15)18-17/h3-10,12,17-18H,11H2,1-2H3/t17-/m0/s1
InChIKeySFLBOXONXGVQMS-KRWDZBQOSA-N
MW237.35 g/mol
LogP4.52
Rot. Bonds2

About (2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole

(2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole (PubChem CID 7047714) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is (2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name(2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
PubChem CID7047714
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name(2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
SMILESCC(C)c1ccc([C@@H]2Cc3ccccc3N2)cc1
InChIInChI=1S/C17H19N/c1-12(2)13-7-9-14(10-8-13)17-11-15-5-3-4-6-16(15)18-17/h3-10,12,17-18H,11H2,1-2H3/t17-/m0/s1
InChIKeySFLBOXONXGVQMS-KRWDZBQOSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 7047713
(2R)-2-phenyl-2,3-dihydro-1H-indole
CID 7004228
2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-indole
CID 4553676
(2R)-2-(4-bromophenyl)-2,3-dihydro-1H-indole
CID 7144522
5-tert-butyl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 5176220
2-(4-ethylphenyl)-2,3-dihydro-1H-indole
CID 3934310
5-butan-2-yl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 3520254
2-(3-methylphenyl)-5-propan-2-yl-2,3-dihydro-1H-indole
CID 3435203
3-(2,3-dihydro-1H-indol-2-yl)quinoline
CID 65041840
2-(4-chlorophenyl)-7-propan-2-yl-2,3-dihydro-1H-indole
CID 3430415
2-(3-propylphenyl)-2,3-dihydro-1H-indole
CID 116545623
(3S)-3-(4-propan-2-ylphenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 92867860

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of (2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole (CID 7047714) is (2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for (2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for (2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole is CC(C)c1ccc([C@@H]2Cc3ccccc3N2)cc1.
What is the InChIKey of (2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole?
The InChIKey is SFLBOXONXGVQMS-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19N/c1-12(2)13-7-9-14(10-8-13)17-11-15-5-3-4-6-16(15)18-17/h3-10,12,17-18H,11H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole?
(2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole has a molecular weight of 237.35 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 7047714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).