3-methyl-2-(4-methylphenoxy)-N-(2-methylpropyl)butan-1-amine

C16H27NO — CID 55077780

IUPAC3-methyl-2-(4-methylphenoxy)-N-(2-methylpropyl)butan-1-amine
SMILESCc1ccc(OC(CNCC(C)C)C(C)C)cc1
InChIInChI=1S/C16H27NO/c1-12(2)10-17-11-16(13(3)4)18-15-8-6-14(5)7-9-15/h6-9,12-13,16-17H,10-11H2,1-5H3
InChIKeyXURHVJJIBJSZDL-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.64
Rot. Bonds7

About 3-methyl-2-(4-methylphenoxy)-N-(2-methylpropyl)butan-1-amine

3-methyl-2-(4-methylphenoxy)-N-(2-methylpropyl)butan-1-amine (PubChem CID 55077780) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-methyl-2-(4-methylphenoxy)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-(4-methylphenoxy)-N-(2-methylpropyl)butan-1-amine
PubChem CID55077780
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name3-methyl-2-(4-methylphenoxy)-N-(2-methylpropyl)butan-1-amine
SMILESCc1ccc(OC(CNCC(C)C)C(C)C)cc1
InChIInChI=1S/C16H27NO/c1-12(2)10-17-11-16(13(3)4)18-15-8-6-14(5)7-9-15/h6-9,12-13,16-17H,10-11H2,1-5H3
InChIKeyXURHVJJIBJSZDL-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63496809
3-methyl-N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine
CID 63491943
2-(4-bromo-3,5-dimethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 107726433
2-(2-methoxy-4-methylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62451206
3-methyl-N-(2-methylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 63496494
2-methyl-N-[2-(4-methylphenoxy)-2-phenylethyl]propan-1-amine
CID 63491990
2-(4-chloro-3-ethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63497376
N-ethyl-3-methyl-2-(4-phenylphenoxy)butan-1-amine
CID 63491979
2-(4-bromophenoxy)-N-ethyl-3-methylbutan-1-amine
CID 62453543
3-methyl-2-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine
CID 63498370
2-(3,4-dimethylphenoxy)-N-ethyl-3-methylbutan-1-amine
CID 62453580
N,3-dimethyl-2-(4-phenylphenoxy)butan-1-amine
CID 62450460

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylphenoxy)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 3-methyl-2-(4-methylphenoxy)-N-(2-methylpropyl)butan-1-amine (CID 55077780) is 3-methyl-2-(4-methylphenoxy)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 3-methyl-2-(4-methylphenoxy)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 3-methyl-2-(4-methylphenoxy)-N-(2-methylpropyl)butan-1-amine is Cc1ccc(OC(CNCC(C)C)C(C)C)cc1.
What is the InChIKey of 3-methyl-2-(4-methylphenoxy)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is XURHVJJIBJSZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-12(2)10-17-11-16(13(3)4)18-15-8-6-14(5)7-9-15/h6-9,12-13,16-17H,10-11H2,1-5H3.
What are the key properties of 3-methyl-2-(4-methylphenoxy)-N-(2-methylpropyl)butan-1-amine?
3-methyl-2-(4-methylphenoxy)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylphenoxy)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 55077780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).