2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride

C15H16ClNO2 — CID 71464250

IUPAC2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
SMILESCl.NCC(=O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C15H15NO2.ClH/c16-10-15(17)13-7-4-8-14(9-13)18-11-12-5-2-1-3-6-12;/h1-9H,10-11,16H2;1H
InChIKeyMFDXUFISBJAZCB-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.83
Rot. Bonds5

About 2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride

2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride (PubChem CID 71464250) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
PubChem CID71464250
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
SMILESCl.NCC(=O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C15H15NO2.ClH/c16-10-15(17)13-7-4-8-14(9-13)18-11-12-5-2-1-3-6-12;/h1-9H,10-11,16H2;1H
InChIKeyMFDXUFISBJAZCB-UHFFFAOYSA-N
XLogP2.83
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 70190872
2-amino-1-(4-phenylmethoxyphenyl)ethanone
CID 14579463
2-[3-(2-aminoacetyl)phenoxy]acetic acid
CID 70628823
2-(2-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
CID 10519489
2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
CID 10543442
3-methyl-1-(3-phenylmethoxyphenyl)pentan-1-one
CID 105091669
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
(2-aminophenyl)-(3-phenylmethoxyphenyl)methanone
CID 14903626
N-(1-aminopropan-2-yl)-N-methyl-3-phenylmethoxybenzamide;hydrochloride
CID 119583865
2-amino-1-(4-methyl-3-phenylmethoxyphenyl)ethanone
CID 117391400
(E)-3-(3-phenylmethoxyphenyl)but-2-enoic acid
CID 68732642
ethyl 2-(3-phenylmethoxyphenyl)prop-2-enoate
CID 69253409

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride?
The IUPAC name of 2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride (CID 71464250) is 2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride is Cl.NCC(=O)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride?
The InChIKey is MFDXUFISBJAZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2.ClH/c16-10-15(17)13-7-4-8-14(9-13)18-11-12-5-2-1-3-6-12;/h1-9H,10-11,16H2;1H.
What are the key properties of 2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride?
2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride has a molecular weight of 277.75 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride is sourced from PubChem (CID 71464250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).