N-[1-(2,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine

C18H19Cl2N — CID 43096568

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCC(Nc1cccc2c1CCCC2)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl2N/c1-12(15-10-9-14(19)11-17(15)20)21-18-8-4-6-13-5-2-3-7-16(13)18/h4,6,8-12,21H,2-3,5,7H2,1H3
InChIKeySLAFNZWEDFROOZ-UHFFFAOYSA-N
MW320.26 g/mol
LogP6.05
Rot. Bonds3

About N-[1-(2,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine

N-[1-(2,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 43096568) has the molecular formula C18H19Cl2N and a molecular weight of 320.26 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID43096568
Molecular FormulaC18H19Cl2N
Molecular Weight320.26 g/mol
Exact Mass319.09
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCC(Nc1cccc2c1CCCC2)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl2N/c1-12(15-10-9-14(19)11-17(15)20)21-18-8-4-6-13-5-2-3-7-16(13)18/h4,6,8-12,21H,2-3,5,7H2,1H3
InChIKeySLAFNZWEDFROOZ-UHFFFAOYSA-N
XLogP6.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.26
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(2,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(5-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43102799
N-[1-(2,4-dichlorophenyl)ethyl]-2-(difluoromethylsulfanyl)aniline
CID 43102689
2-[1-(2,4-dichlorophenyl)ethylamino]-6-fluorobenzenecarbothioamide
CID 79517110
2-chloro-4-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylbenzene-1,4-diamine
CID 115554408
3-[1-(2,4-dichlorophenyl)ethylamino]-2-nitrobenzoic acid
CID 18467620
2-[1-(2,4-dichlorophenyl)ethylamino]benzenecarbothioamide
CID 43102436
2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline
CID 43081262
3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methylaniline
CID 43095344
4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43347271
3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43099454
N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine
CID 43080819
3-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-4-amine
CID 79840895

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine (CID 43096568) is N-[1-(2,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine is CC(Nc1cccc2c1CCCC2)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is SLAFNZWEDFROOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N/c1-12(15-10-9-14(19)11-17(15)20)21-18-8-4-6-13-5-2-3-7-16(13)18/h4,6,8-12,21H,2-3,5,7H2,1H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
N-[1-(2,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 320.26 g/mol, XLogP of 6.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 43096568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).