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

C18H21N — CID 10354802

IUPAC(1S,2R)-N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)[C@@H]1CCc2ccccc2[C@@H]1c1ccccc1
InChIInChI=1S/C18H21N/c1-19(2)17-13-12-14-8-6-7-11-16(14)18(17)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-,18+/m1/s1
InChIKeyNLOSPVRQRDAXEJ-MSOLQXFVSA-N
MW251.37 g/mol
LogP3.69
Rot. Bonds2

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

(1S,2R)-N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 10354802) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is (1S,2R)-N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(1S,2R)-N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID10354802
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name(1S,2R)-N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)[C@@H]1CCc2ccccc2[C@@H]1c1ccccc1
InChIInChI=1S/C18H21N/c1-19(2)17-13-12-14-8-6-7-11-16(14)18(17)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-,18+/m1/s1
InChIKeyNLOSPVRQRDAXEJ-MSOLQXFVSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (1S,2R)-N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 10354802) is (1S,2R)-N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (1S,2R)-N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (1S,2R)-N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine is CN(C)[C@@H]1CCc2ccccc2[C@@H]1c1ccccc1.
What is the InChIKey of (1S,2R)-N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is NLOSPVRQRDAXEJ-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H21N/c1-19(2)17-13-12-14-8-6-7-11-16(14)18(17)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-,18+/m1/s1.
What are the key properties of (1S,2R)-N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine?
(1S,2R)-N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 10354802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).