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

C18H22ClNO — CID 54587682

IUPAC(1S,4S)-4-(4-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
SMILESCN[C@H]1CC[C@@H](c2ccc(OC)cc2)c2ccccc21.Cl
InChIInChI=1S/C18H21NO.ClH/c1-19-18-12-11-15(16-5-3-4-6-17(16)18)13-7-9-14(20-2)10-8-13;/h3-10,15,18-19H,11-12H2,1-2H3;1H/t15-,18-;/m0./s1
InChIKeyIAXNFPNHCGAXIW-NKGQWRHHSA-N
MW303.83 g/mol
LogP4.30
Rot. Bonds3

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

(1S,4S)-4-(4-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride (PubChem CID 54587682) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is (1S,4S)-4-(4-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S,4S)-4-(4-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
PubChem CID54587682
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name(1S,4S)-4-(4-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
SMILESCN[C@H]1CC[C@@H](c2ccc(OC)cc2)c2ccccc21.Cl
InChIInChI=1S/C18H21NO.ClH/c1-19-18-12-11-15(16-5-3-4-6-17(16)18)13-7-9-14(20-2)10-8-13;/h3-10,15,18-19H,11-12H2,1-2H3;1H/t15-,18-;/m0./s1
InChIKeyIAXNFPNHCGAXIW-NKGQWRHHSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-4-(4-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The IUPAC name of (1S,4S)-4-(4-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride (CID 54587682) is (1S,4S)-4-(4-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride.
What is the SMILES notation for (1S,4S)-4-(4-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The canonical SMILES for (1S,4S)-4-(4-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride is CN[C@H]1CC[C@@H](c2ccc(OC)cc2)c2ccccc21.Cl.
What is the InChIKey of (1S,4S)-4-(4-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The InChIKey is IAXNFPNHCGAXIW-NKGQWRHHSA-N. The full InChI is InChI=1S/C18H21NO.ClH/c1-19-18-12-11-15(16-5-3-4-6-17(16)18)13-7-9-14(20-2)10-8-13;/h3-10,15,18-19H,11-12H2,1-2H3;1H/t15-,18-;/m0./s1.
What are the key properties of (1S,4S)-4-(4-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
(1S,4S)-4-(4-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride has a molecular weight of 303.83 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-4-(4-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride is sourced from PubChem (CID 54587682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).