2-[2-(aminomethyl)phenyl]-1-(3-methoxyphenyl)ethanone

C16H17NO2 — CID 116595979

IUPAC2-[2-(aminomethyl)phenyl]-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)Cc2ccccc2CN)c1
InChIInChI=1S/C16H17NO2/c1-19-15-8-4-7-13(9-15)16(18)10-12-5-2-3-6-14(12)11-17/h2-9H,10-11,17H2,1H3
InChIKeyDNGCUUFSBPIPLH-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.58
Rot. Bonds5

About 2-[2-(aminomethyl)phenyl]-1-(3-methoxyphenyl)ethanone

2-[2-(aminomethyl)phenyl]-1-(3-methoxyphenyl)ethanone (PubChem CID 116595979) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-1-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-1-(3-methoxyphenyl)ethanone
PubChem CID116595979
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-[2-(aminomethyl)phenyl]-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)Cc2ccccc2CN)c1
InChIInChI=1S/C16H17NO2/c1-19-15-8-4-7-13(9-15)16(18)10-12-5-2-3-6-14(12)11-17/h2-9H,10-11,17H2,1H3
InChIKeyDNGCUUFSBPIPLH-UHFFFAOYSA-N
XLogP2.58
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
2-(1-benzothiophen-3-yl)-1-(3-methoxyphenyl)ethanone
CID 63739162
1-(3-methoxyphenyl)-2-pyridin-4-ylethanone
CID 11276228
4-fluoro-1-(3-methoxyphenyl)butan-1-one
CID 135043866
3-amino-1-(3-methoxyphenyl)-3-methylbutan-1-one
CID 116581079
6-amino-1-(3-methoxyphenyl)-4,4-dimethylhexan-1-one
CID 116574825
2-(3-fluorophenyl)-1-(3-methoxyphenyl)ethanone
CID 60797583
3-amino-1-(3-methoxyphenyl)-4-methylpentan-1-one
CID 116606296
2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone
CID 64643903
1-(3-methoxyphenyl)-2-pyridin-1-ium-1-ylethanone chloride
CID 19432277
1-(3-methoxyphenyl)-3-pyrimidin-2-ylpropane-1,3-dione
CID 114552675

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-1-(3-methoxyphenyl)ethanone?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-1-(3-methoxyphenyl)ethanone (CID 116595979) is 2-[2-(aminomethyl)phenyl]-1-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-1-(3-methoxyphenyl)ethanone?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-1-(3-methoxyphenyl)ethanone is COc1cccc(C(=O)Cc2ccccc2CN)c1.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-1-(3-methoxyphenyl)ethanone?
The InChIKey is DNGCUUFSBPIPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-19-15-8-4-7-13(9-15)16(18)10-12-5-2-3-6-14(12)11-17/h2-9H,10-11,17H2,1H3.
What are the key properties of 2-[2-(aminomethyl)phenyl]-1-(3-methoxyphenyl)ethanone?
2-[2-(aminomethyl)phenyl]-1-(3-methoxyphenyl)ethanone has a molecular weight of 255.32 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-1-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 116595979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).