3-methyl-N-propan-2-yl-2-(2,3,5-trimethylphenoxy)butan-1-amine

C17H29NO — CID 63496827

IUPAC3-methyl-N-propan-2-yl-2-(2,3,5-trimethylphenoxy)butan-1-amine
SMILESCc1cc(C)c(C)c(OC(CNC(C)C)C(C)C)c1
InChIInChI=1S/C17H29NO/c1-11(2)17(10-18-12(3)4)19-16-9-13(5)8-14(6)15(16)7/h8-9,11-12,17-18H,10H2,1-7H3
InChIKeyKPESYODKESXWQW-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.01
Rot. Bonds6

About 3-methyl-N-propan-2-yl-2-(2,3,5-trimethylphenoxy)butan-1-amine

3-methyl-N-propan-2-yl-2-(2,3,5-trimethylphenoxy)butan-1-amine (PubChem CID 63496827) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yl-2-(2,3,5-trimethylphenoxy)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propan-2-yl-2-(2,3,5-trimethylphenoxy)butan-1-amine
PubChem CID63496827
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name3-methyl-N-propan-2-yl-2-(2,3,5-trimethylphenoxy)butan-1-amine
SMILESCc1cc(C)c(C)c(OC(CNC(C)C)C(C)C)c1
InChIInChI=1S/C17H29NO/c1-11(2)17(10-18-12(3)4)19-16-9-13(5)8-14(6)15(16)7/h8-9,11-12,17-18H,10H2,1-7H3
InChIKeyKPESYODKESXWQW-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-yl-2-(2,3,5-trimethylphenoxy)butan-1-amine?
The IUPAC name of 3-methyl-N-propan-2-yl-2-(2,3,5-trimethylphenoxy)butan-1-amine (CID 63496827) is 3-methyl-N-propan-2-yl-2-(2,3,5-trimethylphenoxy)butan-1-amine.
What is the SMILES notation for 3-methyl-N-propan-2-yl-2-(2,3,5-trimethylphenoxy)butan-1-amine?
The canonical SMILES for 3-methyl-N-propan-2-yl-2-(2,3,5-trimethylphenoxy)butan-1-amine is Cc1cc(C)c(C)c(OC(CNC(C)C)C(C)C)c1.
What is the InChIKey of 3-methyl-N-propan-2-yl-2-(2,3,5-trimethylphenoxy)butan-1-amine?
The InChIKey is KPESYODKESXWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-11(2)17(10-18-12(3)4)19-16-9-13(5)8-14(6)15(16)7/h8-9,11-12,17-18H,10H2,1-7H3.
What are the key properties of 3-methyl-N-propan-2-yl-2-(2,3,5-trimethylphenoxy)butan-1-amine?
3-methyl-N-propan-2-yl-2-(2,3,5-trimethylphenoxy)butan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-yl-2-(2,3,5-trimethylphenoxy)butan-1-amine is sourced from PubChem (CID 63496827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).