5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine

C13H20ClN — CID 106870188

IUPAC5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine
SMILESCc1ccc(CC(C)CC(C)N)c(Cl)c1
InChIInChI=1S/C13H20ClN/c1-9-4-5-12(13(14)8-9)7-10(2)6-11(3)15/h4-5,8,10-11H,6-7,15H2,1-3H3
InChIKeyGSZDRQBOBBVUFW-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.56
Rot. Bonds4

About 5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine

5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine (PubChem CID 106870188) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is 5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine.

Molecular Properties

Compound Name5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine
PubChem CID106870188
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine
SMILESCc1ccc(CC(C)CC(C)N)c(Cl)c1
InChIInChI=1S/C13H20ClN/c1-9-4-5-12(13(14)8-9)7-10(2)6-11(3)15/h4-5,8,10-11H,6-7,15H2,1-3H3
InChIKeyGSZDRQBOBBVUFW-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2-chlorophenyl)-4-methylpentan-2-amine
CID 64719849
2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 106866944
1-(2-chloro-4-methylphenyl)-3,4-dimethylpentan-2-amine
CID 106866564
1-chloro-3-(2-chloro-4-methylphenyl)propan-2-amine;hydrochloride
CID 162376791
1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-amine
CID 106867257
2-(2-chloro-4-methylphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503151
1-(2-chloro-4-methylphenyl)-3-propan-2-yloxypropan-2-amine
CID 106867926
1-(2-chloro-4-methylphenyl)-4,6,6-trimethylheptan-2-ol
CID 106868167
2-chloro-1-[2-(chloromethyl)-4-methylpentyl]-4-methylbenzene
CID 106870652
1-(2-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)propan-2-amine
CID 106868091
2-bromo-3-(2-chloro-4-methylphenyl)propanamide
CID 104512971
2-(2-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanamine
CID 106868578

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine?
The IUPAC name of 5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine (CID 106870188) is 5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine.
What is the SMILES notation for 5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine?
The canonical SMILES for 5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine is Cc1ccc(CC(C)CC(C)N)c(Cl)c1.
What is the InChIKey of 5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine?
The InChIKey is GSZDRQBOBBVUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-9-4-5-12(13(14)8-9)7-10(2)6-11(3)15/h4-5,8,10-11H,6-7,15H2,1-3H3.
What are the key properties of 5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine?
5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine has a molecular weight of 225.76 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine is sourced from PubChem (CID 106870188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).