2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]butan-2-amine

C17H29NO — CID 63515727

IUPAC2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]butan-2-amine
SMILESCCC(C)(C)NCCOc1cc(C)cc(C(C)C)c1
InChIInChI=1S/C17H29NO/c1-7-17(5,6)18-8-9-19-16-11-14(4)10-15(12-16)13(2)3/h10-13,18H,7-9H2,1-6H3
InChIKeyREHLSYZTSJGQDI-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.28
Rot. Bonds7

About 2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]butan-2-amine

2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]butan-2-amine (PubChem CID 63515727) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]butan-2-amine
PubChem CID63515727
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]butan-2-amine
SMILESCCC(C)(C)NCCOc1cc(C)cc(C(C)C)c1
InChIInChI=1S/C17H29NO/c1-7-17(5,6)18-8-9-19-16-11-14(4)10-15(12-16)13(2)3/h10-13,18H,7-9H2,1-6H3
InChIKeyREHLSYZTSJGQDI-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.28
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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Related Compounds

2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]propan-2-amine
CID 62597906
3,3-dimethyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]butan-1-amine
CID 63515562
N-[3-(3-methyl-5-propan-2-ylphenoxy)propyl]butan-1-amine
CID 2296857
1-[3-(3-methyl-5-propan-2-ylphenoxy)propylamino]propan-2-ol
CID 2978151
5-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]hexan-2-amine
CID 63515560
(2S)-1-[3-(3-methyl-5-propan-2-ylphenoxy)propylamino]propan-2-ol
CID 7375831
N-[2-(3-fluoro-4-methylphenoxy)ethyl]-2-methylbutan-2-amine
CID 107170931
N-[2-[2-(3-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]prop-2-en-1-amine
CID 2581106
2-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 54853093
N-[2-(2-bromo-4-methylphenoxy)ethyl]-2-methylbutan-2-amine
CID 55092828
1-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]piperidine
CID 803139
2-methyl-2-(3-methyl-5-propan-2-ylphenoxy)propan-1-amine
CID 62355629

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]butan-2-amine?
The IUPAC name of 2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]butan-2-amine (CID 63515727) is 2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]butan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]butan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]butan-2-amine is CCC(C)(C)NCCOc1cc(C)cc(C(C)C)c1.
What is the InChIKey of 2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]butan-2-amine?
The InChIKey is REHLSYZTSJGQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-7-17(5,6)18-8-9-19-16-11-14(4)10-15(12-16)13(2)3/h10-13,18H,7-9H2,1-6H3.
What are the key properties of 2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]butan-2-amine?
2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]butan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]butan-2-amine is sourced from PubChem (CID 63515727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).