1-(2-chloro-4-methylpentyl)-2-methylbenzene

C13H19Cl — CID 63544752

IUPAC1-(2-chloro-4-methylpentyl)-2-methylbenzene
SMILESCc1ccccc1CC(Cl)CC(C)C
InChIInChI=1S/C13H19Cl/c1-10(2)8-13(14)9-12-7-5-4-6-11(12)3/h4-7,10,13H,8-9H2,1-3H3
InChIKeyCGXULKLSUWXHGX-UHFFFAOYSA-N
MW210.75 g/mol
LogP4.19
Rot. Bonds4

About 1-(2-chloro-4-methylpentyl)-2-methylbenzene

1-(2-chloro-4-methylpentyl)-2-methylbenzene (PubChem CID 63544752) has the molecular formula C13H19Cl and a molecular weight of 210.75 g/mol. Its IUPAC name is 1-(2-chloro-4-methylpentyl)-2-methylbenzene.

Molecular Properties

Compound Name1-(2-chloro-4-methylpentyl)-2-methylbenzene
PubChem CID63544752
Molecular FormulaC13H19Cl
Molecular Weight210.75 g/mol
Exact Mass210.12
IUPAC Name1-(2-chloro-4-methylpentyl)-2-methylbenzene
SMILESCc1ccccc1CC(Cl)CC(C)C
InChIInChI=1S/C13H19Cl/c1-10(2)8-13(14)9-12-7-5-4-6-11(12)3/h4-7,10,13H,8-9H2,1-3H3
InChIKeyCGXULKLSUWXHGX-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.75
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-methyl-N-[(2-methylphenyl)methyl]pentan-1-amine
CID 107155964
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
1-(2-chlorotridecyl)-2-methylbenzene
CID 65426616
CID 67672299
CID 67672299
1-(2-chloro-2-phenylethyl)-2-methylbenzene
CID 13075090
4-methyl-2-[(2-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 63498334
N-ethyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine
CID 62528305
1-[2-(chloromethyl)-3-methylbutyl]-2-methylbenzene
CID 66036572
N-tert-butyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine
CID 55196404
5-methyl-1-(2-methylphenyl)hexan-2-amine
CID 61077626
1-(2-chloro-2-cyclopropylethyl)-2-methylbenzene
CID 63015916
(2R)-2-methyl-3-(2-methylphenyl)propanoyl chloride
CID 42328007

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylpentyl)-2-methylbenzene?
The IUPAC name of 1-(2-chloro-4-methylpentyl)-2-methylbenzene (CID 63544752) is 1-(2-chloro-4-methylpentyl)-2-methylbenzene.
What is the SMILES notation for 1-(2-chloro-4-methylpentyl)-2-methylbenzene?
The canonical SMILES for 1-(2-chloro-4-methylpentyl)-2-methylbenzene is Cc1ccccc1CC(Cl)CC(C)C.
What is the InChIKey of 1-(2-chloro-4-methylpentyl)-2-methylbenzene?
The InChIKey is CGXULKLSUWXHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl/c1-10(2)8-13(14)9-12-7-5-4-6-11(12)3/h4-7,10,13H,8-9H2,1-3H3.
What are the key properties of 1-(2-chloro-4-methylpentyl)-2-methylbenzene?
1-(2-chloro-4-methylpentyl)-2-methylbenzene has a molecular weight of 210.75 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylpentyl)-2-methylbenzene is sourced from PubChem (CID 63544752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).