3-methyl-N-[2-(2-methylpropoxy)ethyl]-2-phenylbutan-1-amine

C17H29NO — CID 107876435

IUPAC3-methyl-N-[2-(2-methylpropoxy)ethyl]-2-phenylbutan-1-amine
SMILESCC(C)COCCNCC(c1ccccc1)C(C)C
InChIInChI=1S/C17H29NO/c1-14(2)13-19-11-10-18-12-17(15(3)4)16-8-6-5-7-9-16/h5-9,14-15,17-18H,10-13H2,1-4H3
InChIKeyZWVKTQXGFLSIBH-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.69
Rot. Bonds9

About 3-methyl-N-[2-(2-methylpropoxy)ethyl]-2-phenylbutan-1-amine

3-methyl-N-[2-(2-methylpropoxy)ethyl]-2-phenylbutan-1-amine (PubChem CID 107876435) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-methylpropoxy)ethyl]-2-phenylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(2-methylpropoxy)ethyl]-2-phenylbutan-1-amine
PubChem CID107876435
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name3-methyl-N-[2-(2-methylpropoxy)ethyl]-2-phenylbutan-1-amine
SMILESCC(C)COCCNCC(c1ccccc1)C(C)C
InChIInChI=1S/C17H29NO/c1-14(2)13-19-11-10-18-12-17(15(3)4)16-8-6-5-7-9-16/h5-9,14-15,17-18H,10-13H2,1-4H3
InChIKeyZWVKTQXGFLSIBH-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(2-phenoxyethyl)-2-phenylbutan-1-amine
CID 107876087
2-[(3-methyl-2-phenylbutyl)amino]ethyl carbamate
CID 107876364
4-methyl-N-(3-methyl-2-phenylbutyl)pentan-1-amine
CID 107876045
N-[3-(2-methylpropoxy)propyl]-2-phenylpropan-1-amine
CID 43182585
4-methoxy-N-(2-methoxyethyl)-3-methyl-2-phenylbutan-1-amine
CID 113473078
1-[2-(2-methylpropoxy)ethylamino]-3-phenoxypropan-2-ol
CID 115585680
N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106450220
2-chloro-N-[2-(3-methylbutoxy)ethyl]-2-phenylethanamine
CID 65023767
3-methyl-2-phenyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine
CID 106425394
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-1-amine
CID 106449858
(1-methoxy-3-methylbutan-2-yl)benzene
CID 20593836
N-(2-ethoxypropyl)-3-methyl-2-phenylbutan-1-amine
CID 114011795

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-methylpropoxy)ethyl]-2-phenylbutan-1-amine?
The IUPAC name of 3-methyl-N-[2-(2-methylpropoxy)ethyl]-2-phenylbutan-1-amine (CID 107876435) is 3-methyl-N-[2-(2-methylpropoxy)ethyl]-2-phenylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(2-methylpropoxy)ethyl]-2-phenylbutan-1-amine?
The canonical SMILES for 3-methyl-N-[2-(2-methylpropoxy)ethyl]-2-phenylbutan-1-amine is CC(C)COCCNCC(c1ccccc1)C(C)C.
What is the InChIKey of 3-methyl-N-[2-(2-methylpropoxy)ethyl]-2-phenylbutan-1-amine?
The InChIKey is ZWVKTQXGFLSIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-14(2)13-19-11-10-18-12-17(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 3-methyl-N-[2-(2-methylpropoxy)ethyl]-2-phenylbutan-1-amine?
3-methyl-N-[2-(2-methylpropoxy)ethyl]-2-phenylbutan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-methylpropoxy)ethyl]-2-phenylbutan-1-amine is sourced from PubChem (CID 107876435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).