4-(2,4,6-trimethylphenyl)butan-1-amine

C13H21N — CID 19966399

IUPAC4-(2,4,6-trimethylphenyl)butan-1-amine
SMILESCc1cc(C)c(CCCCN)c(C)c1
InChIInChI=1S/C13H21N/c1-10-8-11(2)13(12(3)9-10)6-4-5-7-14/h8-9H,4-7,14H2,1-3H3
InChIKeyOJFHQGJQVODWBX-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.89
Rot. Bonds4

About 4-(2,4,6-trimethylphenyl)butan-1-amine

4-(2,4,6-trimethylphenyl)butan-1-amine (PubChem CID 19966399) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 4-(2,4,6-trimethylphenyl)butan-1-amine.

Molecular Properties

Compound Name4-(2,4,6-trimethylphenyl)butan-1-amine
PubChem CID19966399
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name4-(2,4,6-trimethylphenyl)butan-1-amine
SMILESCc1cc(C)c(CCCCN)c(C)c1
InChIInChI=1S/C13H21N/c1-10-8-11(2)13(12(3)9-10)6-4-5-7-14/h8-9H,4-7,14H2,1-3H3
InChIKeyOJFHQGJQVODWBX-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4,6-trimethylphenyl)butan-1-amine?
The IUPAC name of 4-(2,4,6-trimethylphenyl)butan-1-amine (CID 19966399) is 4-(2,4,6-trimethylphenyl)butan-1-amine.
What is the SMILES notation for 4-(2,4,6-trimethylphenyl)butan-1-amine?
The canonical SMILES for 4-(2,4,6-trimethylphenyl)butan-1-amine is Cc1cc(C)c(CCCCN)c(C)c1.
What is the InChIKey of 4-(2,4,6-trimethylphenyl)butan-1-amine?
The InChIKey is OJFHQGJQVODWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-10-8-11(2)13(12(3)9-10)6-4-5-7-14/h8-9H,4-7,14H2,1-3H3.
What are the key properties of 4-(2,4,6-trimethylphenyl)butan-1-amine?
4-(2,4,6-trimethylphenyl)butan-1-amine has a molecular weight of 191.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,6-trimethylphenyl)butan-1-amine is sourced from PubChem (CID 19966399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).