3-amino-1-(3-ethoxy-2-phenylmethoxyphenyl)propan-1-one

C18H21NO3 — CID 117482319

IUPAC3-amino-1-(3-ethoxy-2-phenylmethoxyphenyl)propan-1-one
SMILESCCOc1cccc(C(=O)CCN)c1OCc1ccccc1
InChIInChI=1S/C18H21NO3/c1-2-21-17-10-6-9-15(16(20)11-12-19)18(17)22-13-14-7-4-3-5-8-14/h3-10H,2,11-13,19H2,1H3
InChIKeySTAXMQMURDPJAM-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.20
Rot. Bonds8

About 3-amino-1-(3-ethoxy-2-phenylmethoxyphenyl)propan-1-one

3-amino-1-(3-ethoxy-2-phenylmethoxyphenyl)propan-1-one (PubChem CID 117482319) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-amino-1-(3-ethoxy-2-phenylmethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-ethoxy-2-phenylmethoxyphenyl)propan-1-one
PubChem CID117482319
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3-amino-1-(3-ethoxy-2-phenylmethoxyphenyl)propan-1-one
SMILESCCOc1cccc(C(=O)CCN)c1OCc1ccccc1
InChIInChI=1S/C18H21NO3/c1-2-21-17-10-6-9-15(16(20)11-12-19)18(17)22-13-14-7-4-3-5-8-14/h3-10H,2,11-13,19H2,1H3
InChIKeySTAXMQMURDPJAM-UHFFFAOYSA-N
XLogP3.20
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2,3-bis(phenylmethoxy)phenyl]-3-oxopropanoate
CID 19929834
N-ethyl-N-hydroxy-2,3-bis(phenylmethoxy)benzamide
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CID 117482452
3-methoxy-2-phenylmethoxybenzoyl chloride
CID 22736875
3-ethoxy-2-(2-phenylethoxy)benzoic acid
CID 43366597
2-(3-ethoxy-2-phenylmethoxyphenyl)cyclopropan-1-amine
CID 154972525
3-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]-2-methylbenzoic acid
CID 17059903
2-ethoxy-1-ethyl-3-phenylmethoxybenzene
CID 173205995
1-(2,3-dibutoxyphenyl)-2-phenylethanone
CID 70572932
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17290759
3-hydroxy-2-phenylmethoxybenzoic acid
CID 67658329
3-amino-1-(4-ethoxy-2,3-difluorophenyl)propan-1-one
CID 117329949

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-ethoxy-2-phenylmethoxyphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(3-ethoxy-2-phenylmethoxyphenyl)propan-1-one (CID 117482319) is 3-amino-1-(3-ethoxy-2-phenylmethoxyphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(3-ethoxy-2-phenylmethoxyphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(3-ethoxy-2-phenylmethoxyphenyl)propan-1-one is CCOc1cccc(C(=O)CCN)c1OCc1ccccc1.
What is the InChIKey of 3-amino-1-(3-ethoxy-2-phenylmethoxyphenyl)propan-1-one?
The InChIKey is STAXMQMURDPJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-2-21-17-10-6-9-15(16(20)11-12-19)18(17)22-13-14-7-4-3-5-8-14/h3-10H,2,11-13,19H2,1H3.
What are the key properties of 3-amino-1-(3-ethoxy-2-phenylmethoxyphenyl)propan-1-one?
3-amino-1-(3-ethoxy-2-phenylmethoxyphenyl)propan-1-one has a molecular weight of 299.37 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-ethoxy-2-phenylmethoxyphenyl)propan-1-one is sourced from PubChem (CID 117482319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).