(2S,4S)-N,N-dimethyl-4-(3-pyridin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C23H24N2 — CID 166638669

IUPAC(2S,4S)-N,N-dimethyl-4-(3-pyridin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)[C@@H]1Cc2ccccc2[C@H](c2cccc(-c3ccncc3)c2)C1
InChIInChI=1S/C23H24N2/c1-25(2)21-15-20-6-3-4-9-22(20)23(16-21)19-8-5-7-18(14-19)17-10-12-24-13-11-17/h3-14,21,23H,15-16H2,1-2H3/t21-,23+/m1/s1
InChIKeyWYSUFWVVSZJQRM-GGAORHGYSA-N
MW328.46 g/mol
LogP4.76
Rot. Bonds3

About (2S,4S)-N,N-dimethyl-4-(3-pyridin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine

(2S,4S)-N,N-dimethyl-4-(3-pyridin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 166638669) has the molecular formula C23H24N2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (2S,4S)-N,N-dimethyl-4-(3-pyridin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2S,4S)-N,N-dimethyl-4-(3-pyridin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID166638669
Molecular FormulaC23H24N2
Molecular Weight328.46 g/mol
Exact Mass328.19
IUPAC Name(2S,4S)-N,N-dimethyl-4-(3-pyridin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)[C@@H]1Cc2ccccc2[C@H](c2cccc(-c3ccncc3)c2)C1
InChIInChI=1S/C23H24N2/c1-25(2)21-15-20-6-3-4-9-22(20)23(16-21)19-8-5-7-18(14-19)17-10-12-24-13-11-17/h3-14,21,23H,15-16H2,1-2H3/t21-,23+/m1/s1
InChIKeyWYSUFWVVSZJQRM-GGAORHGYSA-N
XLogP4.76
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N,N-dimethyl-4-(3-pyridin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2S,4S)-N,N-dimethyl-4-(3-pyridin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 166638669) is (2S,4S)-N,N-dimethyl-4-(3-pyridin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2S,4S)-N,N-dimethyl-4-(3-pyridin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2S,4S)-N,N-dimethyl-4-(3-pyridin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is CN(C)[C@@H]1Cc2ccccc2[C@H](c2cccc(-c3ccncc3)c2)C1.
What is the InChIKey of (2S,4S)-N,N-dimethyl-4-(3-pyridin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is WYSUFWVVSZJQRM-GGAORHGYSA-N. The full InChI is InChI=1S/C23H24N2/c1-25(2)21-15-20-6-3-4-9-22(20)23(16-21)19-8-5-7-18(14-19)17-10-12-24-13-11-17/h3-14,21,23H,15-16H2,1-2H3/t21-,23+/m1/s1.
What are the key properties of (2S,4S)-N,N-dimethyl-4-(3-pyridin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
(2S,4S)-N,N-dimethyl-4-(3-pyridin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 328.46 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N,N-dimethyl-4-(3-pyridin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 166638669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).