2-methyl-1-[[4-(propan-2-ylamino)phenyl]methoxy]pentan-3-one

C16H25NO2 — CID 155214623

IUPAC2-methyl-1-[[4-(propan-2-ylamino)phenyl]methoxy]pentan-3-one
SMILESCCC(=O)C(C)COCc1ccc(NC(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-5-16(18)13(4)10-19-11-14-6-8-15(9-7-14)17-12(2)3/h6-9,12-13,17H,5,10-11H2,1-4H3
InChIKeyXKKBGURAAHEQKY-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.64
Rot. Bonds8

About 2-methyl-1-[[4-(propan-2-ylamino)phenyl]methoxy]pentan-3-one

2-methyl-1-[[4-(propan-2-ylamino)phenyl]methoxy]pentan-3-one (PubChem CID 155214623) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-methyl-1-[[4-(propan-2-ylamino)phenyl]methoxy]pentan-3-one.

Molecular Properties

Compound Name2-methyl-1-[[4-(propan-2-ylamino)phenyl]methoxy]pentan-3-one
PubChem CID155214623
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-methyl-1-[[4-(propan-2-ylamino)phenyl]methoxy]pentan-3-one
SMILESCCC(=O)C(C)COCc1ccc(NC(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-5-16(18)13(4)10-19-11-14-6-8-15(9-7-14)17-12(2)3/h6-9,12-13,17H,5,10-11H2,1-4H3
InChIKeyXKKBGURAAHEQKY-UHFFFAOYSA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxyphenyl)methoxy]-2-methylpentan-3-one
CID 58822506
ethane;4-(ethoxymethyl)-N-propan-2-ylaniline;molecular hydrogen
CID 172602788
6-hydroxy-4-methyl-7-phenylmethoxyheptan-3-one
CID 79417620
(2R)-1-[(4-methoxyphenyl)methoxy]-2-methylhexan-3-one
CID 101074117
2-anilino-3-phenylmethoxypropanoic acid
CID 154530203
N-[4-(propan-2-ylamino)phenyl]propanamide
CID 43720685
[4-(propan-2-ylamino)phenyl]methyl N-[2-(dimethylamino)ethyl]-N-ethylcarbamate
CID 171843537
[4-(propan-2-ylamino)phenyl]methyl N-(3-methyl-2-oxobutyl)carbamate;[4-(propan-2-ylamino)phenyl]methyl 2-methylpropanoate
CID 162079113
(3S)-4-[(4-methoxyphenyl)methoxy]-3-methyl-1-phenylmethoxybutan-2-one
CID 10860440
N,N-dimethyl-2-[4-(propan-2-ylamino)phenyl]acetamide
CID 43720790
2-methyl-N-[1-(methylamino)-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
CID 171594170
3-methyl-1-[[4-[3-(propan-2-ylamino)phenoxy]phenyl]methoxy]butan-2-one
CID 126654781

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[4-(propan-2-ylamino)phenyl]methoxy]pentan-3-one?
The IUPAC name of 2-methyl-1-[[4-(propan-2-ylamino)phenyl]methoxy]pentan-3-one (CID 155214623) is 2-methyl-1-[[4-(propan-2-ylamino)phenyl]methoxy]pentan-3-one.
What is the SMILES notation for 2-methyl-1-[[4-(propan-2-ylamino)phenyl]methoxy]pentan-3-one?
The canonical SMILES for 2-methyl-1-[[4-(propan-2-ylamino)phenyl]methoxy]pentan-3-one is CCC(=O)C(C)COCc1ccc(NC(C)C)cc1.
What is the InChIKey of 2-methyl-1-[[4-(propan-2-ylamino)phenyl]methoxy]pentan-3-one?
The InChIKey is XKKBGURAAHEQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-16(18)13(4)10-19-11-14-6-8-15(9-7-14)17-12(2)3/h6-9,12-13,17H,5,10-11H2,1-4H3.
What are the key properties of 2-methyl-1-[[4-(propan-2-ylamino)phenyl]methoxy]pentan-3-one?
2-methyl-1-[[4-(propan-2-ylamino)phenyl]methoxy]pentan-3-one has a molecular weight of 263.38 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[4-(propan-2-ylamino)phenyl]methoxy]pentan-3-one is sourced from PubChem (CID 155214623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).