2-[(2S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine

C18H19Cl2N — CID 24857759

IUPAC2-[(2S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine
SMILESNCC[C@@H]1Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C18H19Cl2N/c19-17-6-5-14(11-18(17)20)16-10-12(7-8-21)9-13-3-1-2-4-15(13)16/h1-6,11-12,16H,7-10,21H2/t12-,16+/m1/s1
InChIKeySNDGNPRZZZPUAX-WBMJQRKESA-N
MW320.26 g/mol
LogP5.04
Rot. Bonds3

About 2-[(2S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine

2-[(2S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine (PubChem CID 24857759) has the molecular formula C18H19Cl2N and a molecular weight of 320.26 g/mol. Its IUPAC name is 2-[(2S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(2S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine
PubChem CID24857759
Molecular FormulaC18H19Cl2N
Molecular Weight320.26 g/mol
Exact Mass319.09
IUPAC Name2-[(2S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine
SMILESNCC[C@@H]1Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C18H19Cl2N/c19-17-6-5-14(11-18(17)20)16-10-12(7-8-21)9-13-3-1-2-4-15(13)16/h1-6,11-12,16H,7-10,21H2/t12-,16+/m1/s1
InChIKeySNDGNPRZZZPUAX-WBMJQRKESA-N
XLogP5.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.26
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine?
The IUPAC name of 2-[(2S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine (CID 24857759) is 2-[(2S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine.
What is the SMILES notation for 2-[(2S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine?
The canonical SMILES for 2-[(2S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine is NCC[C@@H]1Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 2-[(2S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine?
The InChIKey is SNDGNPRZZZPUAX-WBMJQRKESA-N. The full InChI is InChI=1S/C18H19Cl2N/c19-17-6-5-14(11-18(17)20)16-10-12(7-8-21)9-13-3-1-2-4-15(13)16/h1-6,11-12,16H,7-10,21H2/t12-,16+/m1/s1.
What are the key properties of 2-[(2S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine?
2-[(2S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine has a molecular weight of 320.26 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine is sourced from PubChem (CID 24857759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).