(2S)-6-N-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2,6-diamine

C16H17ClN2 — CID 118694703

IUPAC(2S)-6-N-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2,6-diamine
SMILESN[C@H]1CCc2cc(Nc3ccc(Cl)cc3)ccc2C1
InChIInChI=1S/C16H17ClN2/c17-13-3-7-15(8-4-13)19-16-6-2-11-9-14(18)5-1-12(11)10-16/h2-4,6-8,10,14,19H,1,5,9,18H2/t14-/m0/s1
InChIKeyQZLTUSBTQMYPOL-AWEZNQCLSA-N
MW272.78 g/mol
LogP3.90
Rot. Bonds2

About (2S)-6-N-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2,6-diamine

(2S)-6-N-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2,6-diamine (PubChem CID 118694703) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is (2S)-6-N-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2,6-diamine.

Molecular Properties

Compound Name(2S)-6-N-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2,6-diamine
PubChem CID118694703
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name(2S)-6-N-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2,6-diamine
SMILESN[C@H]1CCc2cc(Nc3ccc(Cl)cc3)ccc2C1
InChIInChI=1S/C16H17ClN2/c17-13-3-7-15(8-4-13)19-16-6-2-11-9-14(18)5-1-12(11)10-16/h2-4,6-8,10,14,19H,1,5,9,18H2/t14-/m0/s1
InChIKeyQZLTUSBTQMYPOL-AWEZNQCLSA-N
XLogP3.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-6-N-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2,6-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-6-N-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2,6-diamine?
The IUPAC name of (2S)-6-N-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2,6-diamine (CID 118694703) is (2S)-6-N-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2,6-diamine.
What is the SMILES notation for (2S)-6-N-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2,6-diamine?
The canonical SMILES for (2S)-6-N-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2,6-diamine is N[C@H]1CCc2cc(Nc3ccc(Cl)cc3)ccc2C1.
What is the InChIKey of (2S)-6-N-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2,6-diamine?
The InChIKey is QZLTUSBTQMYPOL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17ClN2/c17-13-3-7-15(8-4-13)19-16-6-2-11-9-14(18)5-1-12(11)10-16/h2-4,6-8,10,14,19H,1,5,9,18H2/t14-/m0/s1.
What are the key properties of (2S)-6-N-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2,6-diamine?
(2S)-6-N-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2,6-diamine has a molecular weight of 272.78 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-N-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2,6-diamine is sourced from PubChem (CID 118694703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).