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

C17H20ClN — CID 3034724

IUPAC(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
SMILESCN[C@H]1CC[C@@H](c2ccccc2)c2ccccc21.Cl
InChIInChI=1S/C17H19N.ClH/c1-18-17-12-11-14(13-7-3-2-4-8-13)15-9-5-6-10-16(15)17;/h2-10,14,17-18H,11-12H2,1H3;1H/t14-,17-;/m0./s1
InChIKeyXTSOELQVDLSJFM-RVXRQPKJSA-N
MW273.81 g/mol
LogP4.29
Rot. Bonds2

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

(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride (PubChem CID 3034724) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is (1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
PubChem CID3034724
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
SMILESCN[C@H]1CC[C@@H](c2ccccc2)c2ccccc21.Cl
InChIInChI=1S/C17H19N.ClH/c1-18-17-12-11-14(13-7-3-2-4-8-13)15-9-5-6-10-16(15)17;/h2-10,14,17-18H,11-12H2,1H3;1H/t14-,17-;/m0./s1
InChIKeyXTSOELQVDLSJFM-RVXRQPKJSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The IUPAC name of (1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride (CID 3034724) is (1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride.
What is the SMILES notation for (1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The canonical SMILES for (1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride is CN[C@H]1CC[C@@H](c2ccccc2)c2ccccc21.Cl.
What is the InChIKey of (1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The InChIKey is XTSOELQVDLSJFM-RVXRQPKJSA-N. The full InChI is InChI=1S/C17H19N.ClH/c1-18-17-12-11-14(13-7-3-2-4-8-13)15-9-5-6-10-16(15)17;/h2-10,14,17-18H,11-12H2,1H3;1H/t14-,17-;/m0./s1.
What are the key properties of (1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride has a molecular weight of 273.81 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride is sourced from PubChem (CID 3034724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).