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

C17H27NO — CID 43108572

IUPAC3-methyl-N-[1-(oxolan-2-yl)ethyl]-1-phenylbutan-1-amine
SMILESCC(C)CC(NC(C)C1CCCO1)c1ccccc1
InChIInChI=1S/C17H27NO/c1-13(2)12-16(15-8-5-4-6-9-15)18-14(3)17-10-7-11-19-17/h4-6,8-9,13-14,16-18H,7,10-12H2,1-3H3
InChIKeyHDSHKNFVTJWILS-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.93
Rot. Bonds6

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

3-methyl-N-[1-(oxolan-2-yl)ethyl]-1-phenylbutan-1-amine (PubChem CID 43108572) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-methyl-N-[1-(oxolan-2-yl)ethyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[1-(oxolan-2-yl)ethyl]-1-phenylbutan-1-amine
PubChem CID43108572
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-methyl-N-[1-(oxolan-2-yl)ethyl]-1-phenylbutan-1-amine
SMILESCC(C)CC(NC(C)C1CCCO1)c1ccccc1
InChIInChI=1S/C17H27NO/c1-13(2)12-16(15-8-5-4-6-9-15)18-14(3)17-10-7-11-19-17/h4-6,8-9,13-14,16-18H,7,10-12H2,1-3H3
InChIKeyHDSHKNFVTJWILS-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine
CID 43310101
1-(2-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine
CID 112631436
(2S)-2-[(1S)-1-phenylethyl]oxolane
CID 118374007
3-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine
CID 43711931
(2S)-2-[(1S)-2-methyl-1-phenylpropyl]oxolane
CID 118371657
2,6-dimethyl-N-(3-methyl-1-phenylbutyl)heptan-4-amine
CID 63438592
3-methyl-1-phenyl-N-(1-phenylethyl)butan-1-amine
CID 43081295
3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351399
(1S,2R)-N-methyl-1-[(2S)-oxolan-2-yl]-2-phenylpropan-1-amine
CID 124705823
N-[(1R)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]propan-2-amine
CID 125486098
2-amino-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119292175
2-cyano-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide
CID 62878936

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(oxolan-2-yl)ethyl]-1-phenylbutan-1-amine?
The IUPAC name of 3-methyl-N-[1-(oxolan-2-yl)ethyl]-1-phenylbutan-1-amine (CID 43108572) is 3-methyl-N-[1-(oxolan-2-yl)ethyl]-1-phenylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-[1-(oxolan-2-yl)ethyl]-1-phenylbutan-1-amine?
The canonical SMILES for 3-methyl-N-[1-(oxolan-2-yl)ethyl]-1-phenylbutan-1-amine is CC(C)CC(NC(C)C1CCCO1)c1ccccc1.
What is the InChIKey of 3-methyl-N-[1-(oxolan-2-yl)ethyl]-1-phenylbutan-1-amine?
The InChIKey is HDSHKNFVTJWILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)12-16(15-8-5-4-6-9-15)18-14(3)17-10-7-11-19-17/h4-6,8-9,13-14,16-18H,7,10-12H2,1-3H3.
What are the key properties of 3-methyl-N-[1-(oxolan-2-yl)ethyl]-1-phenylbutan-1-amine?
3-methyl-N-[1-(oxolan-2-yl)ethyl]-1-phenylbutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(oxolan-2-yl)ethyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 43108572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).