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

C18H22ClN — CID 54587686

IUPAC(1R,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
SMILESCN(C)[C@@H]1CC[C@@H](c2ccccc2)c2ccccc21.Cl
InChIInChI=1S/C18H21N.ClH/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;1H/t15-,18+;/m0./s1
InChIKeyJHCPSTPESOERTA-QVNYQEOOSA-N
MW287.83 g/mol
LogP4.64
Rot. Bonds2

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

(1R,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride (PubChem CID 54587686) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is (1R,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
PubChem CID54587686
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name(1R,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
SMILESCN(C)[C@@H]1CC[C@@H](c2ccccc2)c2ccccc21.Cl
InChIInChI=1S/C18H21N.ClH/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;1H/t15-,18+;/m0./s1
InChIKeyJHCPSTPESOERTA-QVNYQEOOSA-N
XLogP4.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The IUPAC name of (1R,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride (CID 54587686) is (1R,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride.
What is the SMILES notation for (1R,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The canonical SMILES for (1R,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride is CN(C)[C@@H]1CC[C@@H](c2ccccc2)c2ccccc21.Cl.
What is the InChIKey of (1R,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The InChIKey is JHCPSTPESOERTA-QVNYQEOOSA-N. The full InChI is InChI=1S/C18H21N.ClH/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;1H/t15-,18+;/m0./s1.
What are the key properties of (1R,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
(1R,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride has a molecular weight of 287.83 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride is sourced from PubChem (CID 54587686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).