5-amino-2-methyl-1-(4-propoxyphenyl)pentan-1-one

C15H23NO2 — CID 116613497

IUPAC5-amino-2-methyl-1-(4-propoxyphenyl)pentan-1-one
SMILESCCCOc1ccc(C(=O)C(C)CCCN)cc1
InChIInChI=1S/C15H23NO2/c1-3-11-18-14-8-6-13(7-9-14)15(17)12(2)5-4-10-16/h6-9,12H,3-5,10-11,16H2,1-2H3
InChIKeyNXHOGWRQZIMTMB-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.03
Rot. Bonds8

About 5-amino-2-methyl-1-(4-propoxyphenyl)pentan-1-one

5-amino-2-methyl-1-(4-propoxyphenyl)pentan-1-one (PubChem CID 116613497) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 5-amino-2-methyl-1-(4-propoxyphenyl)pentan-1-one.

Molecular Properties

Compound Name5-amino-2-methyl-1-(4-propoxyphenyl)pentan-1-one
PubChem CID116613497
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name5-amino-2-methyl-1-(4-propoxyphenyl)pentan-1-one
SMILESCCCOc1ccc(C(=O)C(C)CCCN)cc1
InChIInChI=1S/C15H23NO2/c1-3-11-18-14-8-6-13(7-9-14)15(17)12(2)5-4-10-16/h6-9,12H,3-5,10-11,16H2,1-2H3
InChIKeyNXHOGWRQZIMTMB-UHFFFAOYSA-N
XLogP3.03
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-(4-methoxyphenyl)-2-methylpentan-1-one
CID 116613517
2-methyl-1-(4-propoxyphenyl)propan-1-one
CID 595976
2-ethyl-1-(4-propoxyphenyl)hexan-1-one
CID 114971018
2-ethoxy-1-(4-propoxyphenyl)propan-1-one
CID 64540880
2-amino-1-(4-decoxyphenyl)propan-1-one
CID 19897003
2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride
CID 50988222
4-(2-aminoethyl)-1-(4-propoxyphenyl)heptan-1-one
CID 116582867
(2R)-2-methyl-1-[4-[2-(6-undecoxynaphthalen-2-yl)ethyl]phenyl]octan-1-one
CID 150153619
propyl 4-butoxybenzoate
CID 43389566
2,2-dichloro-1-(4-pentoxyphenyl)ethanone
CID 82627435
1-(4-butoxyphenyl)-2-phenylpropan-1-one
CID 101074435
3-ethoxy-2-methyl-1-[4-(4-octoxyphenyl)phenyl]propan-1-one
CID 20670548

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-1-(4-propoxyphenyl)pentan-1-one?
The IUPAC name of 5-amino-2-methyl-1-(4-propoxyphenyl)pentan-1-one (CID 116613497) is 5-amino-2-methyl-1-(4-propoxyphenyl)pentan-1-one.
What is the SMILES notation for 5-amino-2-methyl-1-(4-propoxyphenyl)pentan-1-one?
The canonical SMILES for 5-amino-2-methyl-1-(4-propoxyphenyl)pentan-1-one is CCCOc1ccc(C(=O)C(C)CCCN)cc1.
What is the InChIKey of 5-amino-2-methyl-1-(4-propoxyphenyl)pentan-1-one?
The InChIKey is NXHOGWRQZIMTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-11-18-14-8-6-13(7-9-14)15(17)12(2)5-4-10-16/h6-9,12H,3-5,10-11,16H2,1-2H3.
What are the key properties of 5-amino-2-methyl-1-(4-propoxyphenyl)pentan-1-one?
5-amino-2-methyl-1-(4-propoxyphenyl)pentan-1-one has a molecular weight of 249.35 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-1-(4-propoxyphenyl)pentan-1-one is sourced from PubChem (CID 116613497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).