(2S,4R)-4-[3-[4-(dimethylamino)phenyl]phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine

C26H30N2 — CID 166638686

IUPAC(2S,4R)-4-[3-[4-(dimethylamino)phenyl]phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)c1ccc(-c2cccc([C@H]3C[C@H](N(C)C)Cc4ccccc43)c2)cc1
InChIInChI=1S/C26H30N2/c1-27(2)23-14-12-19(13-15-23)20-9-7-10-21(16-20)26-18-24(28(3)4)17-22-8-5-6-11-25(22)26/h5-16,24,26H,17-18H2,1-4H3/t24-,26-/m1/s1
InChIKeyITBDDOYXQTUJHV-AOYPEHQESA-N
MW370.54 g/mol
LogP5.43
Rot. Bonds4

About (2S,4R)-4-[3-[4-(dimethylamino)phenyl]phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine

(2S,4R)-4-[3-[4-(dimethylamino)phenyl]phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 166638686) has the molecular formula C26H30N2 and a molecular weight of 370.54 g/mol. Its IUPAC name is (2S,4R)-4-[3-[4-(dimethylamino)phenyl]phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2S,4R)-4-[3-[4-(dimethylamino)phenyl]phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID166638686
Molecular FormulaC26H30N2
Molecular Weight370.54 g/mol
Exact Mass370.24
IUPAC Name(2S,4R)-4-[3-[4-(dimethylamino)phenyl]phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)c1ccc(-c2cccc([C@H]3C[C@H](N(C)C)Cc4ccccc43)c2)cc1
InChIInChI=1S/C26H30N2/c1-27(2)23-14-12-19(13-15-23)20-9-7-10-21(16-20)26-18-24(28(3)4)17-22-8-5-6-11-25(22)26/h5-16,24,26H,17-18H2,1-4H3/t24-,26-/m1/s1
InChIKeyITBDDOYXQTUJHV-AOYPEHQESA-N
XLogP5.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[3-[4-(dimethylamino)phenyl]phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2S,4R)-4-[3-[4-(dimethylamino)phenyl]phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 166638686) is (2S,4R)-4-[3-[4-(dimethylamino)phenyl]phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2S,4R)-4-[3-[4-(dimethylamino)phenyl]phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2S,4R)-4-[3-[4-(dimethylamino)phenyl]phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine is CN(C)c1ccc(-c2cccc([C@H]3C[C@H](N(C)C)Cc4ccccc43)c2)cc1.
What is the InChIKey of (2S,4R)-4-[3-[4-(dimethylamino)phenyl]phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is ITBDDOYXQTUJHV-AOYPEHQESA-N. The full InChI is InChI=1S/C26H30N2/c1-27(2)23-14-12-19(13-15-23)20-9-7-10-21(16-20)26-18-24(28(3)4)17-22-8-5-6-11-25(22)26/h5-16,24,26H,17-18H2,1-4H3/t24-,26-/m1/s1.
What are the key properties of (2S,4R)-4-[3-[4-(dimethylamino)phenyl]phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
(2S,4R)-4-[3-[4-(dimethylamino)phenyl]phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 370.54 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[3-[4-(dimethylamino)phenyl]phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 166638686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).