(2S)-1-methyl-2-pentan-3-yl-2,3-dihydro-1H-indene

C15H22 — CID 163961847

IUPAC(2S)-1-methyl-2-pentan-3-yl-2,3-dihydro-1H-indene
SMILESCCC(CC)[C@@H]1Cc2ccccc2C1C
InChIInChI=1S/C15H22/c1-4-12(5-2)15-10-13-8-6-7-9-14(13)11(15)3/h6-9,11-12,15H,4-5,10H2,1-3H3/t11?,15-/m1/s1
InChIKeySIELALCRBPQDEP-JOPIAHFSSA-N
MW202.34 g/mol
LogP4.40
Rot. Bonds3

About (2S)-1-methyl-2-pentan-3-yl-2,3-dihydro-1H-indene

(2S)-1-methyl-2-pentan-3-yl-2,3-dihydro-1H-indene (PubChem CID 163961847) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is (2S)-1-methyl-2-pentan-3-yl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(2S)-1-methyl-2-pentan-3-yl-2,3-dihydro-1H-indene
PubChem CID163961847
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name(2S)-1-methyl-2-pentan-3-yl-2,3-dihydro-1H-indene
SMILESCCC(CC)[C@@H]1Cc2ccccc2C1C
InChIInChI=1S/C15H22/c1-4-12(5-2)15-10-13-8-6-7-9-14(13)11(15)3/h6-9,11-12,15H,4-5,10H2,1-3H3/t11?,15-/m1/s1
InChIKeySIELALCRBPQDEP-JOPIAHFSSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 89059414
(1S,2S)-1,2-dimethyl-2,3-dihydro-1H-indene;ethane;methane
CID 157409915
(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 122155821
N-methyl-N-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]propan-1-amine
CID 125481800
(1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanediol
CID 18727347
N-[[(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]propan-1-amine
CID 124705292
(1S,2R)-1-methyl-2-[2-[2-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxy]ethoxy]ethoxy]-2,3-dihydro-1H-indene
CID 155763743
N-methyl-N-[[(1S,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]butan-1-amine
CID 125481673
(1S,2R)-1-methyl-2-[[4-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxymethyl]phenyl]methoxy]-2,3-dihydro-1H-indene
CID 155468560
3-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 64686607
(1S,3S)-1,3-dimethyl-3,4-dihydro-1H-isochromene
CID 6429796
2-(2-ethylbutyl)-2,3-dihydro-1H-inden-1-ol
CID 82930706

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-pentan-3-yl-2,3-dihydro-1H-indene?
The IUPAC name of (2S)-1-methyl-2-pentan-3-yl-2,3-dihydro-1H-indene (CID 163961847) is (2S)-1-methyl-2-pentan-3-yl-2,3-dihydro-1H-indene.
What is the SMILES notation for (2S)-1-methyl-2-pentan-3-yl-2,3-dihydro-1H-indene?
The canonical SMILES for (2S)-1-methyl-2-pentan-3-yl-2,3-dihydro-1H-indene is CCC(CC)[C@@H]1Cc2ccccc2C1C.
What is the InChIKey of (2S)-1-methyl-2-pentan-3-yl-2,3-dihydro-1H-indene?
The InChIKey is SIELALCRBPQDEP-JOPIAHFSSA-N. The full InChI is InChI=1S/C15H22/c1-4-12(5-2)15-10-13-8-6-7-9-14(13)11(15)3/h6-9,11-12,15H,4-5,10H2,1-3H3/t11?,15-/m1/s1.
What are the key properties of (2S)-1-methyl-2-pentan-3-yl-2,3-dihydro-1H-indene?
(2S)-1-methyl-2-pentan-3-yl-2,3-dihydro-1H-indene has a molecular weight of 202.34 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-pentan-3-yl-2,3-dihydro-1H-indene is sourced from PubChem (CID 163961847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).