2-(4-butan-2-ylphenoxy)-N-methylethanamine

C13H21NO — CID 107664179

IUPAC2-(4-butan-2-ylphenoxy)-N-methylethanamine
SMILESCCC(C)c1ccc(OCCNC)cc1
InChIInChI=1S/C13H21NO/c1-4-11(2)12-5-7-13(8-6-12)15-10-9-14-3/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyWLKJGIWJASYQTA-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.80
Rot. Bonds6

About 2-(4-butan-2-ylphenoxy)-N-methylethanamine

2-(4-butan-2-ylphenoxy)-N-methylethanamine (PubChem CID 107664179) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenoxy)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-butan-2-ylphenoxy)-N-methylethanamine
PubChem CID107664179
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(4-butan-2-ylphenoxy)-N-methylethanamine
SMILESCCC(C)c1ccc(OCCNC)cc1
InChIInChI=1S/C13H21NO/c1-4-11(2)12-5-7-13(8-6-12)15-10-9-14-3/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyWLKJGIWJASYQTA-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.80
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

(2S)-N-[3-[4-[(2R)-butan-2-yl]phenoxy]propyl]butan-2-amine
CID 2182699
2-(4-butan-2-ylphenoxy)-N-(cyclopropylmethyl)ethanamine
CID 107668609
5-(4-butan-2-ylphenoxy)-N-ethylpentan-1-amine
CID 107668328
1-butan-2-yl-4-(3,3-dimethylbutoxy)benzene
CID 70947393
3-(4-butan-2-ylphenyl)-N-methylbutan-1-amine
CID 112507884
1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2282958
2-(4-butan-2-ylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 107668554
6-(4-butan-2-ylphenoxy)hexan-3-amine
CID 107664234
1-butan-2-yl-4-(2-phenylethoxy)benzene
CID 90246528
3-(4-butan-2-ylphenoxy)-2-(methylamino)propanenitrile
CID 107667837
2-(4-butan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 107668633
1-butan-2-yl-4-(3-phenylpropoxy)benzene
CID 103601085

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenoxy)-N-methylethanamine?
The IUPAC name of 2-(4-butan-2-ylphenoxy)-N-methylethanamine (CID 107664179) is 2-(4-butan-2-ylphenoxy)-N-methylethanamine.
What is the SMILES notation for 2-(4-butan-2-ylphenoxy)-N-methylethanamine?
The canonical SMILES for 2-(4-butan-2-ylphenoxy)-N-methylethanamine is CCC(C)c1ccc(OCCNC)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenoxy)-N-methylethanamine?
The InChIKey is WLKJGIWJASYQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-11(2)12-5-7-13(8-6-12)15-10-9-14-3/h5-8,11,14H,4,9-10H2,1-3H3.
What are the key properties of 2-(4-butan-2-ylphenoxy)-N-methylethanamine?
2-(4-butan-2-ylphenoxy)-N-methylethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenoxy)-N-methylethanamine is sourced from PubChem (CID 107664179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).