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

C16H27NO — CID 62597906

IUPAC2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]propan-2-amine
SMILESCc1cc(OCCNC(C)(C)C)cc(C(C)C)c1
InChIInChI=1S/C16H27NO/c1-12(2)14-9-13(3)10-15(11-14)18-8-7-17-16(4,5)6/h9-12,17H,7-8H2,1-6H3
InChIKeyFSIZUERMPPCFGN-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.89
Rot. Bonds5

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

2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]propan-2-amine (PubChem CID 62597906) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]propan-2-amine
PubChem CID62597906
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]propan-2-amine
SMILESCc1cc(OCCNC(C)(C)C)cc(C(C)C)c1
InChIInChI=1S/C16H27NO/c1-12(2)14-9-13(3)10-15(11-14)18-8-7-17-16(4,5)6/h9-12,17H,7-8H2,1-6H3
InChIKeyFSIZUERMPPCFGN-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.89
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]butan-2-amine
CID 63515727
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
N-tert-butyl-4-(3,5-dimethylphenoxy)butan-1-amine
CID 2250755
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-[2-(3-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]prop-2-en-1-amine
CID 2581106
2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine
CID 2299544
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
N-methyl-2-[3-methyl-5-[2-(methylamino)ethoxy]phenoxy]ethanamine
CID 123710934

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]propan-2-amine (CID 62597906) is 2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]propan-2-amine is Cc1cc(OCCNC(C)(C)C)cc(C(C)C)c1.
What is the InChIKey of 2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]propan-2-amine?
The InChIKey is FSIZUERMPPCFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-12(2)14-9-13(3)10-15(11-14)18-8-7-17-16(4,5)6/h9-12,17H,7-8H2,1-6H3.
What are the key properties of 2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]propan-2-amine?
2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]propan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.89, 5 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]propan-2-amine is sourced from PubChem (CID 62597906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).