2-methyl-N-[2-(3-methylbutoxy)-2-phenylethyl]propan-1-amine

C17H29NO — CID 55077407

IUPAC2-methyl-N-[2-(3-methylbutoxy)-2-phenylethyl]propan-1-amine
SMILESCC(C)CCOC(CNCC(C)C)c1ccccc1
InChIInChI=1S/C17H29NO/c1-14(2)10-11-19-17(13-18-12-15(3)4)16-8-6-5-7-9-16/h5-9,14-15,17-18H,10-13H2,1-4H3
InChIKeyWOHATVVUWJWPCU-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.04
Rot. Bonds9

About 2-methyl-N-[2-(3-methylbutoxy)-2-phenylethyl]propan-1-amine

2-methyl-N-[2-(3-methylbutoxy)-2-phenylethyl]propan-1-amine (PubChem CID 55077407) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-methylbutoxy)-2-phenylethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(3-methylbutoxy)-2-phenylethyl]propan-1-amine
PubChem CID55077407
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-methyl-N-[2-(3-methylbutoxy)-2-phenylethyl]propan-1-amine
SMILESCC(C)CCOC(CNCC(C)C)c1ccccc1
InChIInChI=1S/C17H29NO/c1-14(2)10-11-19-17(13-18-12-15(3)4)16-8-6-5-7-9-16/h5-9,14-15,17-18H,10-13H2,1-4H3
InChIKeyWOHATVVUWJWPCU-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine
CID 62456729
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
2-methyl-N-[2-(2-methylpentoxy)-2-phenylethyl]propan-1-amine
CID 103285722
3-(3-methylbutoxy)-3-phenylpropanenitrile
CID 115001730
N-ethyl-2-(4-methoxyphenyl)-2-(3-methylbutoxy)ethanamine
CID 62107398
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
N-(3-methoxy-2-phenylpropyl)-2-methylpropan-1-amine
CID 103984701
N-[2-(3-methylbutoxy)-2-(4-methylphenyl)ethyl]propan-2-amine
CID 55036236
1-[(2R)-2-(3-methylbutoxy)-2-phenylethyl]pyrrolidine;hydrochloride
CID 76969625
2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride
CID 17157782

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-methylbutoxy)-2-phenylethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-(3-methylbutoxy)-2-phenylethyl]propan-1-amine (CID 55077407) is 2-methyl-N-[2-(3-methylbutoxy)-2-phenylethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(3-methylbutoxy)-2-phenylethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(3-methylbutoxy)-2-phenylethyl]propan-1-amine is CC(C)CCOC(CNCC(C)C)c1ccccc1.
What is the InChIKey of 2-methyl-N-[2-(3-methylbutoxy)-2-phenylethyl]propan-1-amine?
The InChIKey is WOHATVVUWJWPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-14(2)10-11-19-17(13-18-12-15(3)4)16-8-6-5-7-9-16/h5-9,14-15,17-18H,10-13H2,1-4H3.
What are the key properties of 2-methyl-N-[2-(3-methylbutoxy)-2-phenylethyl]propan-1-amine?
2-methyl-N-[2-(3-methylbutoxy)-2-phenylethyl]propan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(3-methylbutoxy)-2-phenylethyl]propan-1-amine is sourced from PubChem (CID 55077407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).