(1S,2S)-2-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene

C14H20 — CID 157427807

IUPAC(1S,2S)-2-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)[C@@H]1c2ccccc2CC[C@@H]1C
InChIInChI=1S/C14H20/c1-10(2)14-11(3)8-9-12-6-4-5-7-13(12)14/h4-7,10-11,14H,8-9H2,1-3H3/t11-,14-/m0/s1
InChIKeyMKUFJPWASXUTHK-FZMZJTMJSA-N
MW188.31 g/mol
LogP4.01
Rot. Bonds1

About (1S,2S)-2-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene

(1S,2S)-2-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene (PubChem CID 157427807) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is (1S,2S)-2-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1S,2S)-2-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
PubChem CID157427807
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name(1S,2S)-2-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)[C@@H]1c2ccccc2CC[C@@H]1C
InChIInChI=1S/C14H20/c1-10(2)14-11(3)8-9-12-6-4-5-7-13(12)14/h4-7,10-11,14H,8-9H2,1-3H3/t11-,14-/m0/s1
InChIKeyMKUFJPWASXUTHK-FZMZJTMJSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R,2S)-2-methoxy-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 118421434
(1R)-1-propan-2-yl-2,3-dihydro-1H-indene
CID 59961726
6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79725685
(1S,2S)-1-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 163236306
1-[(1R)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 175161324
1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 23332534
methane;1-methyl-2-propan-2-yl-2,3-dihydro-1H-indene;2-methyl-1-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 159483128
(2R)-2-methyl-1-(2,2,3-trimethylcyclopropyl)-1,2,3,4-tetrahydronaphthalene
CID 163627308
ethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 144539733
diphosphanyl-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-phosphanylphosphane
CID 21061778
1-(2,3-dihydro-1H-inden-1-yl)ethanesulfonamide
CID 67418342
(2R)-2-amino-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride
CID 120873780

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1S,2S)-2-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene (CID 157427807) is (1S,2S)-2-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1S,2S)-2-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1S,2S)-2-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene is CC(C)[C@@H]1c2ccccc2CC[C@@H]1C.
What is the InChIKey of (1S,2S)-2-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is MKUFJPWASXUTHK-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H20/c1-10(2)14-11(3)8-9-12-6-4-5-7-13(12)14/h4-7,10-11,14H,8-9H2,1-3H3/t11-,14-/m0/s1.
What are the key properties of (1S,2S)-2-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
(1S,2S)-2-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 188.31 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 157427807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).