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

C16H15Cl2N — CID 24857668

IUPAC(2S,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+/m1/s1
InChIKeyINFXKGQBKNZHOQ-OCCSQVGLSA-N
MW292.21 g/mol
LogP4.40
Rot. Bonds1

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

(2S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 24857668) has the molecular formula C16H15Cl2N and a molecular weight of 292.21 g/mol. Its IUPAC name is (2S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID24857668
Molecular FormulaC16H15Cl2N
Molecular Weight292.21 g/mol
Exact Mass291.06
IUPAC Name(2S,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+/m1/s1
InChIKeyINFXKGQBKNZHOQ-OCCSQVGLSA-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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Related Compounds

Sertraline
CID 68617
Sertraline Hydrochloride
CID 63009
Desmethylsertraline
CID 114743
Dasotraline
CID 9947999
n-Methyl sertraline
CID 18642483
Cis-2-((2S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 24857759
1-(1-(3,4-Dichlorophenyl)cyclohexyl)-3-methylbutan-1-amine
CID 24860903
trans-((2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 53320779
Sertraline, cis-(-)-
CID 54375
Sertraline, trans-(A+-)-
CID 9882979
Sertraline Hydrochloride, trans-(A+-)-
CID 18600608
4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine
CID 5203

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 24857668) is (2S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2S,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 (2S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is INFXKGQBKNZHOQ-OCCSQVGLSA-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+/m1/s1.
What are the key properties of (2S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
(2S,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 (2S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 24857668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).