N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine

C16H25NO — CID 82833707

IUPACN-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine
SMILESCCCC(NCC1CCC(C)O1)c1ccccc1
InChIInChI=1S/C16H25NO/c1-3-7-16(14-8-5-4-6-9-14)17-12-15-11-10-13(2)18-15/h4-6,8-9,13,15-17H,3,7,10-12H2,1-2H3
InChIKeyUHFZTUBORZMNSL-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.68
Rot. Bonds6

About N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine

N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine (PubChem CID 82833707) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine
PubChem CID82833707
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine
SMILESCCCC(NCC1CCC(C)O1)c1ccccc1
InChIInChI=1S/C16H25NO/c1-3-7-16(14-8-5-4-6-9-14)17-12-15-11-10-13(2)18-15/h4-6,8-9,13,15-17H,3,7,10-12H2,1-2H3
InChIKeyUHFZTUBORZMNSL-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine
CID 82836542
N-[(2-methylcyclopropyl)methyl]-1-phenylbutan-1-amine
CID 115712894
N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylbutan-1-amine
CID 60856064
N-(3-cyclopentylpropyl)-1-phenylbutan-1-amine
CID 106008352
1-(2-chlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82835073
(1R)-1-(4-bromophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82836687
(1S)-1-(furan-2-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82836690
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenylbutan-1-amine
CID 61241035
N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
CID 20642754
1-(4-tert-butylphenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82834989
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethyl]propan-1-amine
CID 104958381
1-(4-chlorophenyl)-N-(oxan-2-ylmethyl)butan-1-amine
CID 55014326

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine?
The IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine (CID 82833707) is N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine.
What is the SMILES notation for N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine?
The canonical SMILES for N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine is CCCC(NCC1CCC(C)O1)c1ccccc1.
What is the InChIKey of N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine?
The InChIKey is UHFZTUBORZMNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-7-16(14-8-5-4-6-9-14)17-12-15-11-10-13(2)18-15/h4-6,8-9,13,15-17H,3,7,10-12H2,1-2H3.
What are the key properties of N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine?
N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 82833707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).