1-amino-7-(oxolan-2-yl)-1-phenylheptan-4-one

C17H25NO2 — CID 116570924

IUPAC1-amino-7-(oxolan-2-yl)-1-phenylheptan-4-one
SMILESNC(CCC(=O)CCCC1CCCO1)c1ccccc1
InChIInChI=1S/C17H25NO2/c18-17(14-6-2-1-3-7-14)12-11-15(19)8-4-9-16-10-5-13-20-16/h1-3,6-7,16-17H,4-5,8-13,18H2
InChIKeyBFTRHTCHSBUZHK-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.38
Rot. Bonds8

About 1-amino-7-(oxolan-2-yl)-1-phenylheptan-4-one

1-amino-7-(oxolan-2-yl)-1-phenylheptan-4-one (PubChem CID 116570924) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-amino-7-(oxolan-2-yl)-1-phenylheptan-4-one.

Molecular Properties

Compound Name1-amino-7-(oxolan-2-yl)-1-phenylheptan-4-one
PubChem CID116570924
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-amino-7-(oxolan-2-yl)-1-phenylheptan-4-one
SMILESNC(CCC(=O)CCCC1CCCO1)c1ccccc1
InChIInChI=1S/C17H25NO2/c18-17(14-6-2-1-3-7-14)12-11-15(19)8-4-9-16-10-5-13-20-16/h1-3,6-7,16-17H,4-5,8-13,18H2
InChIKeyBFTRHTCHSBUZHK-UHFFFAOYSA-N
XLogP3.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminophenyl)-4-(oxolan-2-yl)butan-1-one
CID 65166956
1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65166872
1-amino-5-(oxolan-2-yl)-2-phenylpentan-3-one
CID 116567022
1-chloro-4-(oxolan-2-yl)-1-phenylbutan-2-one
CID 81236403
1-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-amine
CID 104993455
1-chloro-7-(oxolan-2-yl)heptan-4-one
CID 66044442
1-(4-tert-butylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993395
6-(oxolan-2-yl)-2-phenylhexan-3-ol
CID 65162298
(2S)-2-amino-5-(oxolan-2-yl)pentanoic acid
CID 106702722
1-(oxolan-2-yl)-4-phenylhexan-3-amine
CID 104993677
2-(2-methylphenyl)-5-(oxolan-2-yl)pentanoic acid
CID 79421580
4-amino-1,4-diphenylbutan-1-one
CID 116570833

Frequently Asked Questions

What is the IUPAC name of 1-amino-7-(oxolan-2-yl)-1-phenylheptan-4-one?
The IUPAC name of 1-amino-7-(oxolan-2-yl)-1-phenylheptan-4-one (CID 116570924) is 1-amino-7-(oxolan-2-yl)-1-phenylheptan-4-one.
What is the SMILES notation for 1-amino-7-(oxolan-2-yl)-1-phenylheptan-4-one?
The canonical SMILES for 1-amino-7-(oxolan-2-yl)-1-phenylheptan-4-one is NC(CCC(=O)CCCC1CCCO1)c1ccccc1.
What is the InChIKey of 1-amino-7-(oxolan-2-yl)-1-phenylheptan-4-one?
The InChIKey is BFTRHTCHSBUZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c18-17(14-6-2-1-3-7-14)12-11-15(19)8-4-9-16-10-5-13-20-16/h1-3,6-7,16-17H,4-5,8-13,18H2.
What are the key properties of 1-amino-7-(oxolan-2-yl)-1-phenylheptan-4-one?
1-amino-7-(oxolan-2-yl)-1-phenylheptan-4-one has a molecular weight of 275.39 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-7-(oxolan-2-yl)-1-phenylheptan-4-one is sourced from PubChem (CID 116570924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).