2,3,3-trimethyl-4-(3-methylphenyl)pentan-2-amine

C15H25N — CID 54575059

IUPAC2,3,3-trimethyl-4-(3-methylphenyl)pentan-2-amine
SMILESCc1cccc(C(C)C(C)(C)C(C)(C)N)c1
InChIInChI=1S/C15H25N/c1-11-8-7-9-13(10-11)12(2)14(3,4)15(5,6)16/h7-10,12H,16H2,1-6H3
InChIKeyZZZYUWGPRGGVIC-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.86
Rot. Bonds3

About 2,3,3-trimethyl-4-(3-methylphenyl)pentan-2-amine

2,3,3-trimethyl-4-(3-methylphenyl)pentan-2-amine (PubChem CID 54575059) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2,3,3-trimethyl-4-(3-methylphenyl)pentan-2-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-4-(3-methylphenyl)pentan-2-amine
PubChem CID54575059
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2,3,3-trimethyl-4-(3-methylphenyl)pentan-2-amine
SMILESCc1cccc(C(C)C(C)(C)C(C)(C)N)c1
InChIInChI=1S/C15H25N/c1-11-8-7-9-13(10-11)12(2)14(3,4)15(5,6)16/h7-10,12H,16H2,1-6H3
InChIKeyZZZYUWGPRGGVIC-UHFFFAOYSA-N
XLogP3.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-4-(3-methylphenyl)pentan-2-amine?
The IUPAC name of 2,3,3-trimethyl-4-(3-methylphenyl)pentan-2-amine (CID 54575059) is 2,3,3-trimethyl-4-(3-methylphenyl)pentan-2-amine.
What is the SMILES notation for 2,3,3-trimethyl-4-(3-methylphenyl)pentan-2-amine?
The canonical SMILES for 2,3,3-trimethyl-4-(3-methylphenyl)pentan-2-amine is Cc1cccc(C(C)C(C)(C)C(C)(C)N)c1.
What is the InChIKey of 2,3,3-trimethyl-4-(3-methylphenyl)pentan-2-amine?
The InChIKey is ZZZYUWGPRGGVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-11-8-7-9-13(10-11)12(2)14(3,4)15(5,6)16/h7-10,12H,16H2,1-6H3.
What are the key properties of 2,3,3-trimethyl-4-(3-methylphenyl)pentan-2-amine?
2,3,3-trimethyl-4-(3-methylphenyl)pentan-2-amine has a molecular weight of 219.37 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-4-(3-methylphenyl)pentan-2-amine is sourced from PubChem (CID 54575059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).