3-methyl-N-(oxolan-3-ylmethyl)-2-phenylbutan-1-amine

C16H25NO — CID 103896914

IUPAC3-methyl-N-(oxolan-3-ylmethyl)-2-phenylbutan-1-amine
SMILESCC(C)C(CNCC1CCOC1)c1ccccc1
InChIInChI=1S/C16H25NO/c1-13(2)16(15-6-4-3-5-7-15)11-17-10-14-8-9-18-12-14/h3-7,13-14,16-17H,8-12H2,1-2H3
InChIKeyZPQFOCTUXKWHSZ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.05
Rot. Bonds6

About 3-methyl-N-(oxolan-3-ylmethyl)-2-phenylbutan-1-amine

3-methyl-N-(oxolan-3-ylmethyl)-2-phenylbutan-1-amine (PubChem CID 103896914) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-methyl-N-(oxolan-3-ylmethyl)-2-phenylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(oxolan-3-ylmethyl)-2-phenylbutan-1-amine
PubChem CID103896914
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-methyl-N-(oxolan-3-ylmethyl)-2-phenylbutan-1-amine
SMILESCC(C)C(CNCC1CCOC1)c1ccccc1
InChIInChI=1S/C16H25NO/c1-13(2)16(15-6-4-3-5-7-15)11-17-10-14-8-9-18-12-14/h3-7,13-14,16-17H,8-12H2,1-2H3
InChIKeyZPQFOCTUXKWHSZ-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[2-(oxolan-3-yl)ethyl]-2-phenylbutan-1-amine
CID 102671497
N'-(oxolan-3-ylmethyl)-2-phenylpropane-1,3-diamine
CID 62878034
2-chloro-N-(oxolan-3-ylmethyl)propan-1-amine
CID 65024238
N-(oxolan-3-ylmethyl)-1-phenylpropan-1-amine
CID 60920561
N,N-diethyl-N'-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine
CID 63736846
3-methyl-2-phenyl-N-(thiolan-2-ylmethyl)butan-1-amine
CID 114011786
1-(4-methylphenyl)-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine
CID 114172171
N-(2,2-dicyclopropylethyl)-3-methyl-2-phenylbutan-1-amine
CID 107876225
2-methyl-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine
CID 54905602
2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine
CID 60919551
3-amino-2-methyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119716804
2-N,2-N,3-trimethyl-1-N-(oxolan-3-ylmethyl)butane-1,2-diamine
CID 43205527

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(oxolan-3-ylmethyl)-2-phenylbutan-1-amine?
The IUPAC name of 3-methyl-N-(oxolan-3-ylmethyl)-2-phenylbutan-1-amine (CID 103896914) is 3-methyl-N-(oxolan-3-ylmethyl)-2-phenylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-(oxolan-3-ylmethyl)-2-phenylbutan-1-amine?
The canonical SMILES for 3-methyl-N-(oxolan-3-ylmethyl)-2-phenylbutan-1-amine is CC(C)C(CNCC1CCOC1)c1ccccc1.
What is the InChIKey of 3-methyl-N-(oxolan-3-ylmethyl)-2-phenylbutan-1-amine?
The InChIKey is ZPQFOCTUXKWHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(2)16(15-6-4-3-5-7-15)11-17-10-14-8-9-18-12-14/h3-7,13-14,16-17H,8-12H2,1-2H3.
What are the key properties of 3-methyl-N-(oxolan-3-ylmethyl)-2-phenylbutan-1-amine?
3-methyl-N-(oxolan-3-ylmethyl)-2-phenylbutan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(oxolan-3-ylmethyl)-2-phenylbutan-1-amine is sourced from PubChem (CID 103896914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).