2-(2,3,4,5-tetramethylphenyl)propan-1-amine

C13H21N — CID 117282734

IUPAC2-(2,3,4,5-tetramethylphenyl)propan-1-amine
SMILESCc1cc(C(C)CN)c(C)c(C)c1C
InChIInChI=1S/C13H21N/c1-8-6-13(9(2)7-14)12(5)11(4)10(8)3/h6,9H,7,14H2,1-5H3
InChIKeyZXDHCRUARALFKC-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.98
Rot. Bonds2

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

2-(2,3,4,5-tetramethylphenyl)propan-1-amine (PubChem CID 117282734) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-(2,3,4,5-tetramethylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,3,4,5-tetramethylphenyl)propan-1-amine
PubChem CID117282734
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2-(2,3,4,5-tetramethylphenyl)propan-1-amine
SMILESCc1cc(C(C)CN)c(C)c(C)c1C
InChIInChI=1S/C13H21N/c1-8-6-13(9(2)7-14)12(5)11(4)10(8)3/h6,9H,7,14H2,1-5H3
InChIKeyZXDHCRUARALFKC-UHFFFAOYSA-N
XLogP2.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5-tetramethylphenyl)propan-1-amine?
The IUPAC name of 2-(2,3,4,5-tetramethylphenyl)propan-1-amine (CID 117282734) is 2-(2,3,4,5-tetramethylphenyl)propan-1-amine.
What is the SMILES notation for 2-(2,3,4,5-tetramethylphenyl)propan-1-amine?
The canonical SMILES for 2-(2,3,4,5-tetramethylphenyl)propan-1-amine is Cc1cc(C(C)CN)c(C)c(C)c1C.
What is the InChIKey of 2-(2,3,4,5-tetramethylphenyl)propan-1-amine?
The InChIKey is ZXDHCRUARALFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-8-6-13(9(2)7-14)12(5)11(4)10(8)3/h6,9H,7,14H2,1-5H3.
What are the key properties of 2-(2,3,4,5-tetramethylphenyl)propan-1-amine?
2-(2,3,4,5-tetramethylphenyl)propan-1-amine has a molecular weight of 191.32 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5-tetramethylphenyl)propan-1-amine is sourced from PubChem (CID 117282734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).