2-methyl-N-[2-[2-[4-(2-methylbutan-2-yl)phenyl]ethoxy]ethyl]propan-2-amine

C19H33NO — CID 66259222

IUPAC2-methyl-N-[2-[2-[4-(2-methylbutan-2-yl)phenyl]ethoxy]ethyl]propan-2-amine
SMILESCCC(C)(C)c1ccc(CCOCCNC(C)(C)C)cc1
InChIInChI=1S/C19H33NO/c1-7-19(5,6)17-10-8-16(9-11-17)12-14-21-15-13-20-18(2,3)4/h8-11,20H,7,12-15H2,1-6H3
InChIKeyWQVDNJBUWNAENW-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.32
Rot. Bonds8

About 2-methyl-N-[2-[2-[4-(2-methylbutan-2-yl)phenyl]ethoxy]ethyl]propan-2-amine

2-methyl-N-[2-[2-[4-(2-methylbutan-2-yl)phenyl]ethoxy]ethyl]propan-2-amine (PubChem CID 66259222) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[4-(2-methylbutan-2-yl)phenyl]ethoxy]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[4-(2-methylbutan-2-yl)phenyl]ethoxy]ethyl]propan-2-amine
PubChem CID66259222
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name2-methyl-N-[2-[2-[4-(2-methylbutan-2-yl)phenyl]ethoxy]ethyl]propan-2-amine
SMILESCCC(C)(C)c1ccc(CCOCCNC(C)(C)C)cc1
InChIInChI=1S/C19H33NO/c1-7-19(5,6)17-10-8-16(9-11-17)12-14-21-15-13-20-18(2,3)4/h8-11,20H,7,12-15H2,1-6H3
InChIKeyWQVDNJBUWNAENW-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
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-[4-(2-methylbutan-2-yl)phenyl]ethoxy]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[2-[4-(2-methylbutan-2-yl)phenyl]ethoxy]ethyl]propan-2-amine (CID 66259222) is 2-methyl-N-[2-[2-[4-(2-methylbutan-2-yl)phenyl]ethoxy]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[2-[4-(2-methylbutan-2-yl)phenyl]ethoxy]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[2-[4-(2-methylbutan-2-yl)phenyl]ethoxy]ethyl]propan-2-amine is CCC(C)(C)c1ccc(CCOCCNC(C)(C)C)cc1.
What is the InChIKey of 2-methyl-N-[2-[2-[4-(2-methylbutan-2-yl)phenyl]ethoxy]ethyl]propan-2-amine?
The InChIKey is WQVDNJBUWNAENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-7-19(5,6)17-10-8-16(9-11-17)12-14-21-15-13-20-18(2,3)4/h8-11,20H,7,12-15H2,1-6H3.
What are the key properties of 2-methyl-N-[2-[2-[4-(2-methylbutan-2-yl)phenyl]ethoxy]ethyl]propan-2-amine?
2-methyl-N-[2-[2-[4-(2-methylbutan-2-yl)phenyl]ethoxy]ethyl]propan-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.32, 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-[4-(2-methylbutan-2-yl)phenyl]ethoxy]ethyl]propan-2-amine is sourced from PubChem (CID 66259222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).