2-amino-1-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

C14H18ClNO2 — CID 117423184

IUPAC2-amino-1-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESCOc1c(Cl)c2c(c(C)c1C(=O)CN)CCCC2
InChIInChI=1S/C14H18ClNO2/c1-8-9-5-3-4-6-10(9)13(15)14(18-2)12(8)11(17)7-16/h3-7,16H2,1-2H3
InChIKeyMTEITXSPHMCEFM-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.68
Rot. Bonds3

About 2-amino-1-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

2-amino-1-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 117423184) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-amino-1-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
PubChem CID117423184
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-amino-1-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESCOc1c(Cl)c2c(c(C)c1C(=O)CN)CCCC2
InChIInChI=1S/C14H18ClNO2/c1-8-9-5-3-4-6-10(9)13(15)14(18-2)12(8)11(17)7-16/h3-7,16H2,1-2H3
InChIKeyMTEITXSPHMCEFM-UHFFFAOYSA-N
XLogP2.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)ethanone
CID 117115546
2-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol
CID 117425605
2-amino-1-(3-chloro-4-methoxy-5-methylphenyl)ethanone
CID 83835408
2-amino-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 82401990
2-amino-1-(4-bromo-2-methoxy-3,6-dimethylphenyl)ethanone
CID 82625822
2-amino-1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)ethanone
CID 84706246
2-amino-1-(2-methyl-4,5,6,7-tetrahydro-1H-indol-3-yl)ethanone
CID 84772465
2-(4-chloro-3-hydroxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-oxoacetic acid
CID 117425126
3-amino-1-(4-chloro-2-methoxy-3,5-dimethylphenyl)propan-1-one
CID 117356323
dimethyl 4,8-dichloro-2,3,6,7-tetramethoxy-9,10-dihydroanthracene-1,5-dicarboxylate
CID 53254578
2-amino-1-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)ethanone
CID 117432238
3,5-dichloro-2,6-dimethoxy-4-methylbenzoic acid
CID 13202156

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of 2-amino-1-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (CID 117423184) is 2-amino-1-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 2-amino-1-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 2-amino-1-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is COc1c(Cl)c2c(c(C)c1C(=O)CN)CCCC2.
What is the InChIKey of 2-amino-1-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is MTEITXSPHMCEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-8-9-5-3-4-6-10(9)13(15)14(18-2)12(8)11(17)7-16/h3-7,16H2,1-2H3.
What are the key properties of 2-amino-1-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
2-amino-1-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 267.76 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 117423184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).