2-(aminomethyl)-1-(3-propan-2-yloxyphenyl)pentan-1-one

C15H23NO2 — CID 116574589

IUPAC2-(aminomethyl)-1-(3-propan-2-yloxyphenyl)pentan-1-one
SMILESCCCC(CN)C(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C15H23NO2/c1-4-6-13(10-16)15(17)12-7-5-8-14(9-12)18-11(2)3/h5,7-9,11,13H,4,6,10,16H2,1-3H3
InChIKeyDZWNZIYOZNQYFV-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.03
Rot. Bonds7

About 2-(aminomethyl)-1-(3-propan-2-yloxyphenyl)pentan-1-one

2-(aminomethyl)-1-(3-propan-2-yloxyphenyl)pentan-1-one (PubChem CID 116574589) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(3-propan-2-yloxyphenyl)pentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(3-propan-2-yloxyphenyl)pentan-1-one
PubChem CID116574589
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(aminomethyl)-1-(3-propan-2-yloxyphenyl)pentan-1-one
SMILESCCCC(CN)C(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C15H23NO2/c1-4-6-13(10-16)15(17)12-7-5-8-14(9-12)18-11(2)3/h5,7-9,11,13H,4,6,10,16H2,1-3H3
InChIKeyDZWNZIYOZNQYFV-UHFFFAOYSA-N
XLogP3.03
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

2-(aminomethyl)-1-(3-ethylphenyl)pentan-1-one
CID 116574550
2-hydroxy-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 103453162
N-(4-amino-2-methylbutyl)-3-propan-2-yloxybenzamide
CID 66090435
2-amino-4-methylsulfonyl-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 116552038
2-(aminomethyl)-1-(4-methoxyphenyl)pentan-1-one
CID 116574552
1-(5-propan-2-yloxy-3-pyridinyl)-2-propylpentan-1-one
CID 115794638
2-(aminomethyl)-1-(3,4-dimethoxyphenyl)pentan-1-one
CID 116574532
(3-propoxycarbonylphenyl) 3-propan-2-yloxybenzoate
CID 17169726
N-[2-(2-hydroxyethyl)pentyl]-3-propan-2-yloxybenzamide
CID 106115912
2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 116709920
2-(aminomethyl)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-one
CID 116598012
N-(1-cyanobutyl)-3-propan-2-yloxybenzamide
CID 62921514

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(3-propan-2-yloxyphenyl)pentan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(3-propan-2-yloxyphenyl)pentan-1-one (CID 116574589) is 2-(aminomethyl)-1-(3-propan-2-yloxyphenyl)pentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(3-propan-2-yloxyphenyl)pentan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(3-propan-2-yloxyphenyl)pentan-1-one is CCCC(CN)C(=O)c1cccc(OC(C)C)c1.
What is the InChIKey of 2-(aminomethyl)-1-(3-propan-2-yloxyphenyl)pentan-1-one?
The InChIKey is DZWNZIYOZNQYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-6-13(10-16)15(17)12-7-5-8-14(9-12)18-11(2)3/h5,7-9,11,13H,4,6,10,16H2,1-3H3.
What are the key properties of 2-(aminomethyl)-1-(3-propan-2-yloxyphenyl)pentan-1-one?
2-(aminomethyl)-1-(3-propan-2-yloxyphenyl)pentan-1-one has a molecular weight of 249.35 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(3-propan-2-yloxyphenyl)pentan-1-one is sourced from PubChem (CID 116574589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).