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

C15H25NO — CID 103283317

IUPACN-methyl-2-(2-methylpentoxy)-1-phenylethanamine
SMILESCCCC(C)COCC(NC)c1ccccc1
InChIInChI=1S/C15H25NO/c1-4-8-13(2)11-17-12-15(16-3)14-9-6-5-7-10-14/h5-7,9-10,13,15-16H,4,8,11-12H2,1-3H3
InChIKeyGEISUIPDOZPMII-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.40
Rot. Bonds8

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

N-methyl-2-(2-methylpentoxy)-1-phenylethanamine (PubChem CID 103283317) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-methyl-2-(2-methylpentoxy)-1-phenylethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methylpentoxy)-1-phenylethanamine
PubChem CID103283317
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-methyl-2-(2-methylpentoxy)-1-phenylethanamine
SMILESCCCC(C)COCC(NC)c1ccccc1
InChIInChI=1S/C15H25NO/c1-4-8-13(2)11-17-12-15(16-3)14-9-6-5-7-10-14/h5-7,9-10,13,15-16H,4,8,11-12H2,1-3H3
InChIKeyGEISUIPDOZPMII-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

2-(2-ethylbutoxy)-N-methyl-1-phenylethanamine
CID 114208303
2-(2-methylpentoxy)-1-phenylethanamine
CID 103283488
3-(2-methylpentoxy)-1-phenylpropan-1-ol
CID 103284714
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
2-(2-methylpentoxy)-1-phenylethanone
CID 103284390
N-methyl-1-phenyl-4-propoxybutan-1-amine
CID 79570537
(1R)-N-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 54006451
N-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 19069357
1-phenyl-N-propan-2-ylbutan-1-amine
CID 43177244
N-methyl-1-phenyl-3-propan-2-yloxypropan-1-amine
CID 114998457
N-ethyl-2-pentan-2-yloxy-1-phenylethanamine
CID 102981222
2-methyl-N-[2-(2-methylpentoxy)-2-phenylethyl]propan-1-amine
CID 103285722

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylpentoxy)-1-phenylethanamine?
The IUPAC name of N-methyl-2-(2-methylpentoxy)-1-phenylethanamine (CID 103283317) is N-methyl-2-(2-methylpentoxy)-1-phenylethanamine.
What is the SMILES notation for N-methyl-2-(2-methylpentoxy)-1-phenylethanamine?
The canonical SMILES for N-methyl-2-(2-methylpentoxy)-1-phenylethanamine is CCCC(C)COCC(NC)c1ccccc1.
What is the InChIKey of N-methyl-2-(2-methylpentoxy)-1-phenylethanamine?
The InChIKey is GEISUIPDOZPMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-8-13(2)11-17-12-15(16-3)14-9-6-5-7-10-14/h5-7,9-10,13,15-16H,4,8,11-12H2,1-3H3.
What are the key properties of N-methyl-2-(2-methylpentoxy)-1-phenylethanamine?
N-methyl-2-(2-methylpentoxy)-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 N-methyl-2-(2-methylpentoxy)-1-phenylethanamine is sourced from PubChem (CID 103283317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).