2-amino-1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanone

C12H14ClNO2 — CID 84701574

IUPAC2-amino-1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanone
SMILESCc1c(C(=O)CN)cc(Cl)c2c1CCCO2
InChIInChI=1S/C12H14ClNO2/c1-7-8-3-2-4-16-12(8)10(13)5-9(7)11(15)6-14/h5H,2-4,6,14H2,1H3
InChIKeyKEMFCLWRRRUWBV-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.11
Rot. Bonds2

About 2-amino-1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanone

2-amino-1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanone (PubChem CID 84701574) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-amino-1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanone
PubChem CID84701574
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name2-amino-1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanone
SMILESCc1c(C(=O)CN)cc(Cl)c2c1CCCO2
InChIInChI=1S/C12H14ClNO2/c1-7-8-3-2-4-16-12(8)10(13)5-9(7)11(15)6-14/h5H,2-4,6,14H2,1H3
InChIKeyKEMFCLWRRRUWBV-UHFFFAOYSA-N
XLogP2.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone
CID 84702824
3-amino-1-(6-chloro-9-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propan-1-one
CID 117427376
3-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-3-methylbutanoic acid
CID 117454486
3-amino-3-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)propanoic acid
CID 117427318
1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanol
CID 84690833
3-amino-1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)propan-1-one
CID 117356143
2-(dimethylamino)-1-(6,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanone
CID 82246207
5-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117473771
[5-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117475471
2-amino-1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone
CID 84669092
1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)-2-(methylamino)ethanone
CID 84702820
2-amino-1-(4-chloro-2,5-dimethylphenyl)ethanone
CID 84774667

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanone?
The IUPAC name of 2-amino-1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanone (CID 84701574) is 2-amino-1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanone.
What is the SMILES notation for 2-amino-1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanone?
The canonical SMILES for 2-amino-1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanone is Cc1c(C(=O)CN)cc(Cl)c2c1CCCO2.
What is the InChIKey of 2-amino-1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanone?
The InChIKey is KEMFCLWRRRUWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-7-8-3-2-4-16-12(8)10(13)5-9(7)11(15)6-14/h5H,2-4,6,14H2,1H3.
What are the key properties of 2-amino-1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanone?
2-amino-1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanone has a molecular weight of 239.70 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanone is sourced from PubChem (CID 84701574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).