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

C18H21N — CID 3033039

IUPAC(1S,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN(C)[C@H]1CC[C@@H](c2ccccc2)c2ccccc21
InChIInChI=1S/C18H21N/c1-19(2)18-13-12-15(14-8-4-3-5-9-14)16-10-6-7-11-17(16)18/h3-11,15,18H,12-13H2,1-2H3/t15-,18-/m0/s1
InChIKeyZLYGADOSSMOOPG-YJBOKZPZSA-N
MW251.37 g/mol
LogP4.22
Rot. Bonds2

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

(1S,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 3033039) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is (1S,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID3033039
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name(1S,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN(C)[C@H]1CC[C@@H](c2ccccc2)c2ccccc21
InChIInChI=1S/C18H21N/c1-19(2)18-13-12-15(14-8-4-3-5-9-14)16-10-6-7-11-17(16)18/h3-11,15,18H,12-13H2,1-2H3/t15-,18-/m0/s1
InChIKeyZLYGADOSSMOOPG-YJBOKZPZSA-N
XLogP4.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 3033039) is (1S,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine is CN(C)[C@H]1CC[C@@H](c2ccccc2)c2ccccc21.
What is the InChIKey of (1S,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is ZLYGADOSSMOOPG-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H21N/c1-19(2)18-13-12-15(14-8-4-3-5-9-14)16-10-6-7-11-17(16)18/h3-11,15,18H,12-13H2,1-2H3/t15-,18-/m0/s1.
What are the key properties of (1S,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 251.37 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 3033039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).