2-(2-ethylbutoxy)-N-methyl-1-phenylethanamine

C15H25NO — CID 114208303

IUPAC2-(2-ethylbutoxy)-N-methyl-1-phenylethanamine
SMILESCCC(CC)COCC(NC)c1ccccc1
InChIInChI=1S/C15H25NO/c1-4-13(5-2)11-17-12-15(16-3)14-9-7-6-8-10-14/h6-10,13,15-16H,4-5,11-12H2,1-3H3
InChIKeyJOJKXCOCHADVAQ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.40
Rot. Bonds8

About 2-(2-ethylbutoxy)-N-methyl-1-phenylethanamine

2-(2-ethylbutoxy)-N-methyl-1-phenylethanamine (PubChem CID 114208303) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(2-ethylbutoxy)-N-methyl-1-phenylethanamine.

Molecular Properties

Compound Name2-(2-ethylbutoxy)-N-methyl-1-phenylethanamine
PubChem CID114208303
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(2-ethylbutoxy)-N-methyl-1-phenylethanamine
SMILESCCC(CC)COCC(NC)c1ccccc1
InChIInChI=1S/C15H25NO/c1-4-13(5-2)11-17-12-15(16-3)14-9-7-6-8-10-14/h6-10,13,15-16H,4-5,11-12H2,1-3H3
InChIKeyJOJKXCOCHADVAQ-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(2-methylpentoxy)-1-phenylethanamine
CID 103283317
3-ethyl-N-methyl-1-phenylheptan-1-amine
CID 63412711
2-fluoro-N-methyl-1-phenylethanamine
CID 83815397
2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)-N-methylethanamine
CID 82004737
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
N-methyl-1-phenyl-4-propoxybutan-1-amine
CID 79570537
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
2-butan-2-ylsulfanyl-N-methyl-1-phenylethanamine
CID 64613225
2-(4-butylphenoxy)-N-methyl-1-phenylethanamine
CID 115492447
N-methyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine
CID 107759066
1-(3-iodophenyl)-N-methyl-2-propoxyethanamine
CID 105008577
2-(2,3-dimethylphenoxy)-N-methyl-1-phenylethanamine;hydrochloride
CID 164625435

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbutoxy)-N-methyl-1-phenylethanamine?
The IUPAC name of 2-(2-ethylbutoxy)-N-methyl-1-phenylethanamine (CID 114208303) is 2-(2-ethylbutoxy)-N-methyl-1-phenylethanamine.
What is the SMILES notation for 2-(2-ethylbutoxy)-N-methyl-1-phenylethanamine?
The canonical SMILES for 2-(2-ethylbutoxy)-N-methyl-1-phenylethanamine is CCC(CC)COCC(NC)c1ccccc1.
What is the InChIKey of 2-(2-ethylbutoxy)-N-methyl-1-phenylethanamine?
The InChIKey is JOJKXCOCHADVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-13(5-2)11-17-12-15(16-3)14-9-7-6-8-10-14/h6-10,13,15-16H,4-5,11-12H2,1-3H3.
What are the key properties of 2-(2-ethylbutoxy)-N-methyl-1-phenylethanamine?
2-(2-ethylbutoxy)-N-methyl-1-phenylethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbutoxy)-N-methyl-1-phenylethanamine is sourced from PubChem (CID 114208303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).