2-(aminomethyl)-1-(3-ethylphenyl)pentan-1-one

C14H21NO — CID 116574550

IUPAC2-(aminomethyl)-1-(3-ethylphenyl)pentan-1-one
SMILESCCCC(CN)C(=O)c1cccc(CC)c1
InChIInChI=1S/C14H21NO/c1-3-6-13(10-15)14(16)12-8-5-7-11(4-2)9-12/h5,7-9,13H,3-4,6,10,15H2,1-2H3
InChIKeyPIHWKXUMZRXSBT-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.81
Rot. Bonds6

About 2-(aminomethyl)-1-(3-ethylphenyl)pentan-1-one

2-(aminomethyl)-1-(3-ethylphenyl)pentan-1-one (PubChem CID 116574550) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(3-ethylphenyl)pentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(3-ethylphenyl)pentan-1-one
PubChem CID116574550
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(aminomethyl)-1-(3-ethylphenyl)pentan-1-one
SMILESCCCC(CN)C(=O)c1cccc(CC)c1
InChIInChI=1S/C14H21NO/c1-3-6-13(10-15)14(16)12-8-5-7-11(4-2)9-12/h5,7-9,13H,3-4,6,10,15H2,1-2H3
InChIKeyPIHWKXUMZRXSBT-UHFFFAOYSA-N
XLogP2.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-1-(3-propan-2-yloxyphenyl)pentan-1-one
CID 116574589
2-amino-1-(3-ethylphenyl)propan-1-one
CID 57124216
3-amino-1-(3-ethylphenyl)-2-methylbutan-1-one
CID 116612270
2-bromo-1-(3-ethylphenyl)-2-hydroxyethanone
CID 21460946
2-hydroxy-1-(3-propylphenyl)pentan-1-one
CID 103453885
2-(aminomethyl)-1-(3,4-dimethoxyphenyl)pentan-1-one
CID 116574532
2-(aminomethyl)-1-(3,5-difluorophenyl)pentan-1-one
CID 116574642
2-amino-1-(3-ethylphenyl)-2-phenylethanone
CID 116551226
2-methylpentyl 3-(2-aminoethyl)benzoate
CID 103284182
2-(aminomethyl)-1-(4-methoxyphenyl)pentan-1-one
CID 116574552
2-(aminomethyl)-1-(2,3-dimethylphenyl)pentan-1-one
CID 116574492
3-ethylbenzoic acid;propane
CID 177324794

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(3-ethylphenyl)pentan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(3-ethylphenyl)pentan-1-one (CID 116574550) is 2-(aminomethyl)-1-(3-ethylphenyl)pentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(3-ethylphenyl)pentan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(3-ethylphenyl)pentan-1-one is CCCC(CN)C(=O)c1cccc(CC)c1.
What is the InChIKey of 2-(aminomethyl)-1-(3-ethylphenyl)pentan-1-one?
The InChIKey is PIHWKXUMZRXSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-6-13(10-15)14(16)12-8-5-7-11(4-2)9-12/h5,7-9,13H,3-4,6,10,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(3-ethylphenyl)pentan-1-one?
2-(aminomethyl)-1-(3-ethylphenyl)pentan-1-one has a molecular weight of 219.33 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(3-ethylphenyl)pentan-1-one is sourced from PubChem (CID 116574550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).