1-(2-cyclopropylbutyl)-2-methylbenzene

C14H20 — CID 163903555

IUPAC1-(2-cyclopropylbutyl)-2-methylbenzene
SMILESCCC(Cc1ccccc1C)C1CC1
InChIInChI=1S/C14H20/c1-3-12(13-8-9-13)10-14-7-5-4-6-11(14)2/h4-7,12-13H,3,8-10H2,1-2H3
InChIKeyQLYDZFDOOWLQAW-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.97
Rot. Bonds4

About 1-(2-cyclopropylbutyl)-2-methylbenzene

1-(2-cyclopropylbutyl)-2-methylbenzene (PubChem CID 163903555) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-(2-cyclopropylbutyl)-2-methylbenzene.

Molecular Properties

Compound Name1-(2-cyclopropylbutyl)-2-methylbenzene
PubChem CID163903555
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name1-(2-cyclopropylbutyl)-2-methylbenzene
SMILESCCC(Cc1ccccc1C)C1CC1
InChIInChI=1S/C14H20/c1-3-12(13-8-9-13)10-14-7-5-4-6-11(14)2/h4-7,12-13H,3,8-10H2,1-2H3
InChIKeyQLYDZFDOOWLQAW-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[1-(2-methylphenyl)butan-2-yl]oxetane
CID 174652828
1-(2-chloro-2-cyclopropylethyl)-2-methylbenzene
CID 63015916
N-[2-cyclopentyl-3-(2-methylphenyl)propyl]-2-methylpropan-2-amine
CID 82932886
2-(2-methylphenyl)-1-(4-propylcyclohexyl)ethanol
CID 65424111
1-(2-chloro-2-cyclohexylethyl)-2-methylbenzene
CID 63542153
[1-chloro-2-(2-methylphenyl)ethyl]cycloheptane
CID 63543365
N-ethyl-2-(2-methylphenyl)-1-(4-propylcyclohexyl)ethanamine
CID 65425325
1-(4-butylcyclohexyl)-2-(2-methylphenyl)ethanamine
CID 63528058
N-ethyl-2-(2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105091772
2-(2-methylphenyl)-1-(thiolan-3-yl)ethanol
CID 105078128
2-[[[1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]-3-(2-methylphenyl)propan-1-ol
CID 166350753
1-cycloheptyl-3-(2-methylphenyl)propan-2-ol
CID 114458939

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylbutyl)-2-methylbenzene?
The IUPAC name of 1-(2-cyclopropylbutyl)-2-methylbenzene (CID 163903555) is 1-(2-cyclopropylbutyl)-2-methylbenzene.
What is the SMILES notation for 1-(2-cyclopropylbutyl)-2-methylbenzene?
The canonical SMILES for 1-(2-cyclopropylbutyl)-2-methylbenzene is CCC(Cc1ccccc1C)C1CC1.
What is the InChIKey of 1-(2-cyclopropylbutyl)-2-methylbenzene?
The InChIKey is QLYDZFDOOWLQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-3-12(13-8-9-13)10-14-7-5-4-6-11(14)2/h4-7,12-13H,3,8-10H2,1-2H3.
What are the key properties of 1-(2-cyclopropylbutyl)-2-methylbenzene?
1-(2-cyclopropylbutyl)-2-methylbenzene has a molecular weight of 188.31 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylbutyl)-2-methylbenzene is sourced from PubChem (CID 163903555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).