3-amino-1-(3-chloro-4-phenylmethoxyphenyl)propan-1-one

C16H16ClNO2 — CID 117468024

IUPAC3-amino-1-(3-chloro-4-phenylmethoxyphenyl)propan-1-one
SMILESNCCC(=O)c1ccc(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H16ClNO2/c17-14-10-13(15(19)8-9-18)6-7-16(14)20-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11,18H2
InChIKeyNEYVBLBEYNMOGD-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.45
Rot. Bonds6

About 3-amino-1-(3-chloro-4-phenylmethoxyphenyl)propan-1-one

3-amino-1-(3-chloro-4-phenylmethoxyphenyl)propan-1-one (PubChem CID 117468024) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 3-amino-1-(3-chloro-4-phenylmethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-chloro-4-phenylmethoxyphenyl)propan-1-one
PubChem CID117468024
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name3-amino-1-(3-chloro-4-phenylmethoxyphenyl)propan-1-one
SMILESNCCC(=O)c1ccc(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H16ClNO2/c17-14-10-13(15(19)8-9-18)6-7-16(14)20-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11,18H2
InChIKeyNEYVBLBEYNMOGD-UHFFFAOYSA-N
XLogP3.45
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851
(3-chloro-4-phenylmethoxyphenyl)-cyclopropylmethanone
CID 82550709
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CID 76899274
1-(3-chloro-4-methoxyphenyl)-2-phenylethanone
CID 18756159
N-(2-aminoethyl)-3-chloro-N-(1-phenylethyl)-4-phenylmethoxybenzamide
CID 71215029
4-[(4-carbamoylphenyl)methoxy]-3-chlorobenzoic acid
CID 60711874
1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 65125936
1-(4-methoxy-3-phenylmethoxyphenyl)-4-methylpentan-1-one
CID 19049285
1-(3-chloro-4-phenylmethoxyphenyl)ethane-1,2-diamine
CID 170894576
2-amino-1-(4-methyl-3-phenylmethoxyphenyl)ethanone
CID 117391400
3-amino-1-(3-chloro-4-cyclopentyloxyphenyl)propan-1-one
CID 117423149
ethyl 2-[(3-chloro-4-phenylmethoxybenzenecarbothioyl)-methylamino]acetate
CID 110188810

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-chloro-4-phenylmethoxyphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(3-chloro-4-phenylmethoxyphenyl)propan-1-one (CID 117468024) is 3-amino-1-(3-chloro-4-phenylmethoxyphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(3-chloro-4-phenylmethoxyphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(3-chloro-4-phenylmethoxyphenyl)propan-1-one is NCCC(=O)c1ccc(OCc2ccccc2)c(Cl)c1.
What is the InChIKey of 3-amino-1-(3-chloro-4-phenylmethoxyphenyl)propan-1-one?
The InChIKey is NEYVBLBEYNMOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-14-10-13(15(19)8-9-18)6-7-16(14)20-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11,18H2.
What are the key properties of 3-amino-1-(3-chloro-4-phenylmethoxyphenyl)propan-1-one?
3-amino-1-(3-chloro-4-phenylmethoxyphenyl)propan-1-one has a molecular weight of 289.76 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-chloro-4-phenylmethoxyphenyl)propan-1-one is sourced from PubChem (CID 117468024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).