2-amino-1-(4-methyl-3-phenylmethoxyphenyl)ethanone

C16H17NO2 — CID 117391400

IUPAC2-amino-1-(4-methyl-3-phenylmethoxyphenyl)ethanone
SMILESCc1ccc(C(=O)CN)cc1OCc1ccccc1
InChIInChI=1S/C16H17NO2/c1-12-7-8-14(15(18)10-17)9-16(12)19-11-13-5-3-2-4-6-13/h2-9H,10-11,17H2,1H3
InChIKeyBJEZGCNPOAAIOI-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.72
Rot. Bonds5

About 2-amino-1-(4-methyl-3-phenylmethoxyphenyl)ethanone

2-amino-1-(4-methyl-3-phenylmethoxyphenyl)ethanone (PubChem CID 117391400) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-amino-1-(4-methyl-3-phenylmethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-methyl-3-phenylmethoxyphenyl)ethanone
PubChem CID117391400
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-amino-1-(4-methyl-3-phenylmethoxyphenyl)ethanone
SMILESCc1ccc(C(=O)CN)cc1OCc1ccccc1
InChIInChI=1S/C16H17NO2/c1-12-7-8-14(15(18)10-17)9-16(12)19-11-13-5-3-2-4-6-13/h2-9H,10-11,17H2,1H3
InChIKeyBJEZGCNPOAAIOI-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(4-methyl-3-phenylmethoxyphenyl)-3-oxopropanoate
CID 20814225
ethyl 2-(4-methyl-3-phenylmethoxyphenyl)-2-oxoacetate
CID 117480834
2-amino-1-(4-phenylmethoxyphenyl)ethanone
CID 14579463
2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 71464250
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
4-methyl-3-(phenylmethoxymethoxy)benzoic acid
CID 102939348
benzyl 3-methyl-4-phenylmethoxybenzoate
CID 123221197
2-isocyano-1-(3-methyl-4-phenylmethoxyphenyl)ethanone
CID 88950115
4-[(2,5-dimethylphenoxy)methyl]benzoic acid
CID 7015959
3-methyl-4-phenylmethoxybenzoyl chloride
CID 18995347
3-[(4-chlorophenyl)methoxy]-4-methylbenzoic acid
CID 45311750
3-[(3-bromophenyl)methoxy]-4-methylbenzoic acid
CID 63464346

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methyl-3-phenylmethoxyphenyl)ethanone?
The IUPAC name of 2-amino-1-(4-methyl-3-phenylmethoxyphenyl)ethanone (CID 117391400) is 2-amino-1-(4-methyl-3-phenylmethoxyphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(4-methyl-3-phenylmethoxyphenyl)ethanone?
The canonical SMILES for 2-amino-1-(4-methyl-3-phenylmethoxyphenyl)ethanone is Cc1ccc(C(=O)CN)cc1OCc1ccccc1.
What is the InChIKey of 2-amino-1-(4-methyl-3-phenylmethoxyphenyl)ethanone?
The InChIKey is BJEZGCNPOAAIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12-7-8-14(15(18)10-17)9-16(12)19-11-13-5-3-2-4-6-13/h2-9H,10-11,17H2,1H3.
What are the key properties of 2-amino-1-(4-methyl-3-phenylmethoxyphenyl)ethanone?
2-amino-1-(4-methyl-3-phenylmethoxyphenyl)ethanone has a molecular weight of 255.32 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methyl-3-phenylmethoxyphenyl)ethanone is sourced from PubChem (CID 117391400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).