2-methyl-N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]propan-1-amine

C19H33NO — CID 65303494

IUPAC2-methyl-N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]propan-1-amine
SMILESCc1c(C)c(C)c(CCOCCNCC(C)C)c(C)c1C
InChIInChI=1S/C19H33NO/c1-13(2)12-20-9-11-21-10-8-19-17(6)15(4)14(3)16(5)18(19)7/h13,20H,8-12H2,1-7H3
InChIKeyFZFVBDKKORJECH-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.03
Rot. Bonds8

About 2-methyl-N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]propan-1-amine

2-methyl-N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]propan-1-amine (PubChem CID 65303494) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]propan-1-amine
PubChem CID65303494
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name2-methyl-N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]propan-1-amine
SMILESCc1c(C)c(C)c(CCOCCNCC(C)C)c(C)c1C
InChIInChI=1S/C19H33NO/c1-13(2)12-20-9-11-21-10-8-19-17(6)15(4)14(3)16(5)18(19)7/h13,20H,8-12H2,1-7H3
InChIKeyFZFVBDKKORJECH-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-methyl-N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]propan-1-amine (CID 65303494) is 2-methyl-N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]propan-1-amine is Cc1c(C)c(C)c(CCOCCNCC(C)C)c(C)c1C.
What is the InChIKey of 2-methyl-N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]propan-1-amine?
The InChIKey is FZFVBDKKORJECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-13(2)12-20-9-11-21-10-8-19-17(6)15(4)14(3)16(5)18(19)7/h13,20H,8-12H2,1-7H3.
What are the key properties of 2-methyl-N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]propan-1-amine?
2-methyl-N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]propan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]propan-1-amine is sourced from PubChem (CID 65303494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).