2-(aminomethyl)-1-(4-methoxyphenyl)pentan-1-one

C13H19NO2 — CID 116574552

IUPAC2-(aminomethyl)-1-(4-methoxyphenyl)pentan-1-one
SMILESCCCC(CN)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H19NO2/c1-3-4-11(9-14)13(15)10-5-7-12(16-2)8-6-10/h5-8,11H,3-4,9,14H2,1-2H3
InChIKeyMQWHFRBAZCGHTC-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.25
Rot. Bonds6

About 2-(aminomethyl)-1-(4-methoxyphenyl)pentan-1-one

2-(aminomethyl)-1-(4-methoxyphenyl)pentan-1-one (PubChem CID 116574552) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(4-methoxyphenyl)pentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(4-methoxyphenyl)pentan-1-one
PubChem CID116574552
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(aminomethyl)-1-(4-methoxyphenyl)pentan-1-one
SMILESCCCC(CN)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H19NO2/c1-3-4-11(9-14)13(15)10-5-7-12(16-2)8-6-10/h5-8,11H,3-4,9,14H2,1-2H3
InChIKeyMQWHFRBAZCGHTC-UHFFFAOYSA-N
XLogP2.25
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-1-(4-methoxyphenyl)butan-1-one
CID 116575155
2-ethyl-1-(4-methoxyphenyl)pentan-1-one
CID 122369816
2-(aminomethyl)-1-(3,4-dimethoxyphenyl)pentan-1-one
CID 116574532
2-(aminomethyl)-1-(2,4-dimethoxyphenyl)pentan-1-one
CID 116574412
ethyl (2R)-3-(4-methoxyphenyl)-2-methyl-3-oxopropanoate
CID 97035569
1-(4-methoxyphenyl)-3-propylhexan-2-one
CID 82986928
ethyl 4-amino-2-(4-methoxybenzoyl)-3-(4-methoxyphenyl)butanoate
CID 10833035
methyl 4-(2-propylpentanoyl)benzoate
CID 146011083
5-amino-1-(4-methoxyphenyl)-2-methylpentan-1-one
CID 116613517
(2S,5S)-2,5-bis[(dimethylamino)methyl]-1,6-bis(4-methoxyphenyl)hexane-1,6-dione
CID 40877312
2-(aminomethyl)-1-(6-methyl-3-pyridinyl)pentan-1-one
CID 116574417
2-(aminomethyl)-1-(3-propan-2-yloxyphenyl)pentan-1-one
CID 116574589

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(4-methoxyphenyl)pentan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(4-methoxyphenyl)pentan-1-one (CID 116574552) is 2-(aminomethyl)-1-(4-methoxyphenyl)pentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(4-methoxyphenyl)pentan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(4-methoxyphenyl)pentan-1-one is CCCC(CN)C(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-(aminomethyl)-1-(4-methoxyphenyl)pentan-1-one?
The InChIKey is MQWHFRBAZCGHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-4-11(9-14)13(15)10-5-7-12(16-2)8-6-10/h5-8,11H,3-4,9,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(4-methoxyphenyl)pentan-1-one?
2-(aminomethyl)-1-(4-methoxyphenyl)pentan-1-one has a molecular weight of 221.30 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(4-methoxyphenyl)pentan-1-one is sourced from PubChem (CID 116574552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).