4-(2,3,5,6-tetramethylphenyl)butan-1-amine

C14H23N — CID 65300958

IUPAC4-(2,3,5,6-tetramethylphenyl)butan-1-amine
SMILESCc1cc(C)c(C)c(CCCCN)c1C
InChIInChI=1S/C14H23N/c1-10-9-11(2)13(4)14(12(10)3)7-5-6-8-15/h9H,5-8,15H2,1-4H3
InChIKeyKLARBMQIDALWRA-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.20
Rot. Bonds4

About 4-(2,3,5,6-tetramethylphenyl)butan-1-amine

4-(2,3,5,6-tetramethylphenyl)butan-1-amine (PubChem CID 65300958) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 4-(2,3,5,6-tetramethylphenyl)butan-1-amine.

Molecular Properties

Compound Name4-(2,3,5,6-tetramethylphenyl)butan-1-amine
PubChem CID65300958
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name4-(2,3,5,6-tetramethylphenyl)butan-1-amine
SMILESCc1cc(C)c(C)c(CCCCN)c1C
InChIInChI=1S/C14H23N/c1-10-9-11(2)13(4)14(12(10)3)7-5-6-8-15/h9H,5-8,15H2,1-4H3
InChIKeyKLARBMQIDALWRA-UHFFFAOYSA-N
XLogP3.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.20
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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Related Compounds

6-(2,3,5,6-tetramethylphenyl)hexan-1-amine
CID 65300906
4-(2,4,6-trimethylphenyl)butan-1-amine
CID 19966399
N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine
CID 115197180
3-(2-chloroethyl)-1,2,4,5-tetramethylbenzene
CID 53403936
3-(3,5-difluoro-2,6-dimethylphenyl)propan-1-amine
CID 84775331
2-methyl-5-(2,3,5,6-tetramethylphenyl)pentan-2-amine
CID 82129151
2-(2-fluoro-3,5,6-trimethylphenyl)ethanamine
CID 84768579
3-(2,3,4,5,6-pentamethylphenyl)propan-1-amine
CID 59138114
3-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-1-amine
CID 117307547
7-(4-aminobutyl)-3,3,5,6-tetramethyl-1H-indol-2-one
CID 82190724
1-amino-4-(2,3,5,6-tetramethylphenyl)butan-2-ol
CID 83941469
4-(3-bromo-2-methoxy-4,6-dimethylphenyl)butan-1-amine
CID 117461386

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,5,6-tetramethylphenyl)butan-1-amine?
The IUPAC name of 4-(2,3,5,6-tetramethylphenyl)butan-1-amine (CID 65300958) is 4-(2,3,5,6-tetramethylphenyl)butan-1-amine.
What is the SMILES notation for 4-(2,3,5,6-tetramethylphenyl)butan-1-amine?
The canonical SMILES for 4-(2,3,5,6-tetramethylphenyl)butan-1-amine is Cc1cc(C)c(C)c(CCCCN)c1C.
What is the InChIKey of 4-(2,3,5,6-tetramethylphenyl)butan-1-amine?
The InChIKey is KLARBMQIDALWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-10-9-11(2)13(4)14(12(10)3)7-5-6-8-15/h9H,5-8,15H2,1-4H3.
What are the key properties of 4-(2,3,5,6-tetramethylphenyl)butan-1-amine?
4-(2,3,5,6-tetramethylphenyl)butan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5,6-tetramethylphenyl)butan-1-amine is sourced from PubChem (CID 65300958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).