(2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C16H15Cl2N — CID 24857666

IUPAC(2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESN[C@H]1Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H15Cl2N/c17-15-6-5-11(8-16(15)18)14-9-12(19)7-10-3-1-2-4-13(10)14/h1-6,8,12,14H,7,9,19H2/t12-,14-/m0/s1
InChIKeyINFXKGQBKNZHOQ-JSGCOSHPSA-N
MW292.21 g/mol
LogP4.40
Rot. Bonds1

About (2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine

(2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 24857666) has the molecular formula C16H15Cl2N and a molecular weight of 292.21 g/mol. Its IUPAC name is (2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID24857666
Molecular FormulaC16H15Cl2N
Molecular Weight292.21 g/mol
Exact Mass291.06
IUPAC Name(2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESN[C@H]1Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H15Cl2N/c17-15-6-5-11(8-16(15)18)14-9-12(19)7-10-3-1-2-4-13(10)14/h1-6,8,12,14H,7,9,19H2/t12-,14-/m0/s1
InChIKeyINFXKGQBKNZHOQ-JSGCOSHPSA-N
XLogP4.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 24857666) is (2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is N[C@H]1Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of (2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is INFXKGQBKNZHOQ-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H15Cl2N/c17-15-6-5-11(8-16(15)18)14-9-12(19)7-10-3-1-2-4-13(10)14/h1-6,8,12,14H,7,9,19H2/t12-,14-/m0/s1.
What are the key properties of (2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
(2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 292.21 g/mol, XLogP of 4.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 24857666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).