5,7-dichloro-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine

C12H15Cl2N — CID 115417669

IUPAC5,7-dichloro-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCC(C)c2c(Cl)cc(Cl)cc21
InChIInChI=1S/C12H15Cl2N/c1-7-3-4-11(15-2)9-5-8(13)6-10(14)12(7)9/h5-7,11,15H,3-4H2,1-2H3
InChIKeyKKTNOWVQCFBMCX-UHFFFAOYSA-N
MW244.16 g/mol
LogP4.15
Rot. Bonds1

About 5,7-dichloro-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine

5,7-dichloro-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115417669) has the molecular formula C12H15Cl2N and a molecular weight of 244.16 g/mol. Its IUPAC name is 5,7-dichloro-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5,7-dichloro-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115417669
Molecular FormulaC12H15Cl2N
Molecular Weight244.16 g/mol
Exact Mass243.06
IUPAC Name5,7-dichloro-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCC(C)c2c(Cl)cc(Cl)cc21
InChIInChI=1S/C12H15Cl2N/c1-7-3-4-11(15-2)9-5-8(13)6-10(14)12(7)9/h5-7,11,15H,3-4H2,1-2H3
InChIKeyKKTNOWVQCFBMCX-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-5,7-dichloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417892
6-chloro-N,7-dimethyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-amine
CID 115417500
6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 54776023
(1R,4R)-4-(2,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 13408732
(1S,4R)-4-(2,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 54581800
8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43512571
N,4,5,5,8,8-hexamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine
CID 116525983
6-chloro-5-iodo-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 155205670
8-bromo-6-chloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 43537253
6,7-diethoxy-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417576
7-bromo-N,4,5,8-tetramethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417695
6-chloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538849

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5,7-dichloro-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115417669) is 5,7-dichloro-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5,7-dichloro-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5,7-dichloro-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1CCC(C)c2c(Cl)cc(Cl)cc21.
What is the InChIKey of 5,7-dichloro-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is KKTNOWVQCFBMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N/c1-7-3-4-11(15-2)9-5-8(13)6-10(14)12(7)9/h5-7,11,15H,3-4H2,1-2H3.
What are the key properties of 5,7-dichloro-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
5,7-dichloro-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 244.16 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115417669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).