6-chloro-2-(ethylamino)-3,4-dihydro-2H-naphthalen-1-one

C12H14ClNO — CID 84624500

IUPAC6-chloro-2-(ethylamino)-3,4-dihydro-2H-naphthalen-1-one
SMILESCCNC1CCc2cc(Cl)ccc2C1=O
InChIInChI=1S/C12H14ClNO/c1-2-14-11-6-3-8-7-9(13)4-5-10(8)12(11)15/h4-5,7,11,14H,2-3,6H2,1H3
InChIKeyHDCUTYVQSUIFCP-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.45
Rot. Bonds2

About 6-chloro-2-(ethylamino)-3,4-dihydro-2H-naphthalen-1-one

6-chloro-2-(ethylamino)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 84624500) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 6-chloro-2-(ethylamino)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-chloro-2-(ethylamino)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID84624500
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name6-chloro-2-(ethylamino)-3,4-dihydro-2H-naphthalen-1-one
SMILESCCNC1CCc2cc(Cl)ccc2C1=O
InChIInChI=1S/C12H14ClNO/c1-2-14-11-6-3-8-7-9(13)4-5-10(8)12(11)15/h4-5,7,11,14H,2-3,6H2,1H3
InChIKeyHDCUTYVQSUIFCP-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5-chloro-N-(2-methylsulfinylethyl)-2,3-dihydro-1H-inden-1-amine
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3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
CID 81321990
2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)acetamide
CID 119300808
(2R)-1-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol
CID 97357898
(2R)-2-bromo-5-chloro-2,3-dihydroinden-1-one
CID 177207093
2-(6-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid
CID 18424529
N'-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine;hydrochloride
CID 139930761
6-methoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one
CID 84627517
6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538840
(1S)-5-chloro-1-ethyl-2,3-dihydro-1H-indene
CID 155718281

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(ethylamino)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-chloro-2-(ethylamino)-3,4-dihydro-2H-naphthalen-1-one (CID 84624500) is 6-chloro-2-(ethylamino)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-chloro-2-(ethylamino)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-chloro-2-(ethylamino)-3,4-dihydro-2H-naphthalen-1-one is CCNC1CCc2cc(Cl)ccc2C1=O.
What is the InChIKey of 6-chloro-2-(ethylamino)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is HDCUTYVQSUIFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-2-14-11-6-3-8-7-9(13)4-5-10(8)12(11)15/h4-5,7,11,14H,2-3,6H2,1H3.
What are the key properties of 6-chloro-2-(ethylamino)-3,4-dihydro-2H-naphthalen-1-one?
6-chloro-2-(ethylamino)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 223.70 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(ethylamino)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 84624500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).