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

C17H27NO — CID 102671497

IUPAC3-methyl-N-[2-(oxolan-3-yl)ethyl]-2-phenylbutan-1-amine
SMILESCC(C)C(CNCCC1CCOC1)c1ccccc1
InChIInChI=1S/C17H27NO/c1-14(2)17(16-6-4-3-5-7-16)12-18-10-8-15-9-11-19-13-15/h3-7,14-15,17-18H,8-13H2,1-2H3
InChIKeyAGTCWVBSWUAZAR-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.44
Rot. Bonds7

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

3-methyl-N-[2-(oxolan-3-yl)ethyl]-2-phenylbutan-1-amine (PubChem CID 102671497) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-methyl-N-[2-(oxolan-3-yl)ethyl]-2-phenylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(oxolan-3-yl)ethyl]-2-phenylbutan-1-amine
PubChem CID102671497
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-methyl-N-[2-(oxolan-3-yl)ethyl]-2-phenylbutan-1-amine
SMILESCC(C)C(CNCCC1CCOC1)c1ccccc1
InChIInChI=1S/C17H27NO/c1-14(2)17(16-6-4-3-5-7-16)12-18-10-8-15-9-11-19-13-15/h3-7,14-15,17-18H,8-13H2,1-2H3
InChIKeyAGTCWVBSWUAZAR-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.44
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-(oxolan-3-ylmethyl)-2-phenylbutan-1-amine
CID 103896914
N-(3-cyclopentylpropyl)-3-methyl-2-phenylbutan-1-amine
CID 106008203
N-[2-(oxolan-3-yl)ethyl]-3-phenylprop-2-yn-1-amine
CID 114130521
N-[2-(oxolan-3-yl)ethyl]-3-phenylpropan-1-amine
CID 102671288
1-(furan-2-yl)-2-[2-(oxolan-3-yl)ethylamino]ethanol
CID 103878951
2-methyl-N-[2-(oxolan-3-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 104537883
N-(2,2-dicyclopropylethyl)-3-methyl-2-phenylbutan-1-amine
CID 107876225
N-[2-(oxolan-3-yl)ethyl]-3-phenoxypropan-1-amine
CID 102671422
4-methyl-N-(3-methyl-2-phenylbutyl)pentan-1-amine
CID 107876045
3-methyl-2-phenyl-N-(thiolan-2-ylmethyl)butan-1-amine
CID 114011786
3-methyl-N-[2-(oxolan-3-yl)ethyl]butan-2-amine
CID 104537978
N'-(oxolan-3-ylmethyl)-2-phenylpropane-1,3-diamine
CID 62878034

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(oxolan-3-yl)ethyl]-2-phenylbutan-1-amine?
The IUPAC name of 3-methyl-N-[2-(oxolan-3-yl)ethyl]-2-phenylbutan-1-amine (CID 102671497) is 3-methyl-N-[2-(oxolan-3-yl)ethyl]-2-phenylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(oxolan-3-yl)ethyl]-2-phenylbutan-1-amine?
The canonical SMILES for 3-methyl-N-[2-(oxolan-3-yl)ethyl]-2-phenylbutan-1-amine is CC(C)C(CNCCC1CCOC1)c1ccccc1.
What is the InChIKey of 3-methyl-N-[2-(oxolan-3-yl)ethyl]-2-phenylbutan-1-amine?
The InChIKey is AGTCWVBSWUAZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(2)17(16-6-4-3-5-7-16)12-18-10-8-15-9-11-19-13-15/h3-7,14-15,17-18H,8-13H2,1-2H3.
What are the key properties of 3-methyl-N-[2-(oxolan-3-yl)ethyl]-2-phenylbutan-1-amine?
3-methyl-N-[2-(oxolan-3-yl)ethyl]-2-phenylbutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(oxolan-3-yl)ethyl]-2-phenylbutan-1-amine is sourced from PubChem (CID 102671497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).