2-methyl-N-[2-(2-methylpentoxy)-2-phenylethyl]propan-1-amine

C18H31NO — CID 103285722

IUPAC2-methyl-N-[2-(2-methylpentoxy)-2-phenylethyl]propan-1-amine
SMILESCCCC(C)COC(CNCC(C)C)c1ccccc1
InChIInChI=1S/C18H31NO/c1-5-9-16(4)14-20-18(13-19-12-15(2)3)17-10-7-6-8-11-17/h6-8,10-11,15-16,18-19H,5,9,12-14H2,1-4H3
InChIKeyARVHJQMELMSZCA-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.43
Rot. Bonds10

About 2-methyl-N-[2-(2-methylpentoxy)-2-phenylethyl]propan-1-amine

2-methyl-N-[2-(2-methylpentoxy)-2-phenylethyl]propan-1-amine (PubChem CID 103285722) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methylpentoxy)-2-phenylethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methylpentoxy)-2-phenylethyl]propan-1-amine
PubChem CID103285722
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-methyl-N-[2-(2-methylpentoxy)-2-phenylethyl]propan-1-amine
SMILESCCCC(C)COC(CNCC(C)C)c1ccccc1
InChIInChI=1S/C18H31NO/c1-5-9-16(4)14-20-18(13-19-12-15(2)3)17-10-7-6-8-11-17/h6-8,10-11,15-16,18-19H,5,9,12-14H2,1-4H3
InChIKeyARVHJQMELMSZCA-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[2-(3-methylbutoxy)-2-phenylethyl]propan-1-amine
CID 55077407
N-[2-(2-methylpentoxy)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 103285227
N-[2-(2-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine
CID 55072970
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]-2-phenylethyl]propan-1-amine
CID 106450104
N-[2-(4-bromophenyl)-2-(2-methylpentoxy)ethyl]propan-1-amine
CID 103285218
N-[2-(2-methoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine
CID 62456729
N-[2-(2-methylpentoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
CID 103285192
1-(1-phenylbutoxy)propan-2-ol
CID 139655590
2-methyl-N-[2-(4-methylphenoxy)-2-phenylethyl]propan-1-amine
CID 63491990
N-[2-(4-fluorophenoxy)-2-phenylethyl]-2-methylpropan-1-amine
CID 62454308
2-benzyl-4-methyl-N-(2-methylpropyl)heptan-1-amine
CID 63496731
2-(2-methylpentoxy)-1-phenylethanamine
CID 103283488

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methylpentoxy)-2-phenylethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-(2-methylpentoxy)-2-phenylethyl]propan-1-amine (CID 103285722) is 2-methyl-N-[2-(2-methylpentoxy)-2-phenylethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(2-methylpentoxy)-2-phenylethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(2-methylpentoxy)-2-phenylethyl]propan-1-amine is CCCC(C)COC(CNCC(C)C)c1ccccc1.
What is the InChIKey of 2-methyl-N-[2-(2-methylpentoxy)-2-phenylethyl]propan-1-amine?
The InChIKey is ARVHJQMELMSZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-9-16(4)14-20-18(13-19-12-15(2)3)17-10-7-6-8-11-17/h6-8,10-11,15-16,18-19H,5,9,12-14H2,1-4H3.
What are the key properties of 2-methyl-N-[2-(2-methylpentoxy)-2-phenylethyl]propan-1-amine?
2-methyl-N-[2-(2-methylpentoxy)-2-phenylethyl]propan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.43, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methylpentoxy)-2-phenylethyl]propan-1-amine is sourced from PubChem (CID 103285722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).