(1R,2S)-1-amino-1-(6-methoxynaphthalen-2-yl)-3-phenylpropan-2-ol;hydrochloride

C20H22ClNO2 — CID 171261088

IUPAC(1R,2S)-1-amino-1-(6-methoxynaphthalen-2-yl)-3-phenylpropan-2-ol;hydrochloride
SMILESCOc1ccc2cc([C@@H](N)[C@@H](O)Cc3ccccc3)ccc2c1.Cl
InChIInChI=1S/C20H21NO2.ClH/c1-23-18-10-9-15-12-17(8-7-16(15)13-18)20(21)19(22)11-14-5-3-2-4-6-14;/h2-10,12-13,19-20,22H,11,21H2,1H3;1H/t19-,20+;/m0./s1
InChIKeyOZCFTLPZESQTEY-CMXBXVFLSA-N
MW343.85 g/mol
LogP3.87
Rot. Bonds5

About (1R,2S)-1-amino-1-(6-methoxynaphthalen-2-yl)-3-phenylpropan-2-ol;hydrochloride

(1R,2S)-1-amino-1-(6-methoxynaphthalen-2-yl)-3-phenylpropan-2-ol;hydrochloride (PubChem CID 171261088) has the molecular formula C20H22ClNO2 and a molecular weight of 343.85 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(6-methoxynaphthalen-2-yl)-3-phenylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(6-methoxynaphthalen-2-yl)-3-phenylpropan-2-ol;hydrochloride
PubChem CID171261088
Molecular FormulaC20H22ClNO2
Molecular Weight343.85 g/mol
Exact Mass343.13
IUPAC Name(1R,2S)-1-amino-1-(6-methoxynaphthalen-2-yl)-3-phenylpropan-2-ol;hydrochloride
SMILESCOc1ccc2cc([C@@H](N)[C@@H](O)Cc3ccccc3)ccc2c1.Cl
InChIInChI=1S/C20H21NO2.ClH/c1-23-18-10-9-15-12-17(8-7-16(15)13-18)20(21)19(22)11-14-5-3-2-4-6-14;/h2-10,12-13,19-20,22H,11,21H2,1H3;1H/t19-,20+;/m0./s1
InChIKeyOZCFTLPZESQTEY-CMXBXVFLSA-N
XLogP3.87
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol
CID 171267031
1,3-diamino-1-(6-methoxynaphthalen-2-yl)propan-2-ol
CID 116942613
(1S,2R)-1-amino-1-(2,5-dimethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171266887
(1R,2S)-1-amino-1-(4-phenoxyphenyl)-3-phenylpropan-2-ol
CID 171263718
(1S,2R)-1-amino-3-phenyl-1-(2,4,6-trimethoxyphenyl)propan-2-ol;hydrochloride
CID 171267050
2-amino-1-(4-methoxyphenyl)-3-phenylpropan-1-ol
CID 62722209
(1S,2R)-1-amino-1-(4-ethoxy-3-methoxyphenyl)-3-phenylpropan-2-ol
CID 171270282
(1S,2R)-1-amino-1-(3,5-dimethylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171267421
(1R,2S)-1-amino-1-(3-ethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171262632
amino-(6-methoxynaphthalen-2-yl)methanol
CID 116939708
(1R,2S)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171261579
(1S,2R)-1-amino-1-(3-methoxyphenyl)butan-2-ol;hydrochloride
CID 171161967

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(6-methoxynaphthalen-2-yl)-3-phenylpropan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-(6-methoxynaphthalen-2-yl)-3-phenylpropan-2-ol;hydrochloride (CID 171261088) is (1R,2S)-1-amino-1-(6-methoxynaphthalen-2-yl)-3-phenylpropan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-(6-methoxynaphthalen-2-yl)-3-phenylpropan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-(6-methoxynaphthalen-2-yl)-3-phenylpropan-2-ol;hydrochloride is COc1ccc2cc([C@@H](N)[C@@H](O)Cc3ccccc3)ccc2c1.Cl.
What is the InChIKey of (1R,2S)-1-amino-1-(6-methoxynaphthalen-2-yl)-3-phenylpropan-2-ol;hydrochloride?
The InChIKey is OZCFTLPZESQTEY-CMXBXVFLSA-N. The full InChI is InChI=1S/C20H21NO2.ClH/c1-23-18-10-9-15-12-17(8-7-16(15)13-18)20(21)19(22)11-14-5-3-2-4-6-14;/h2-10,12-13,19-20,22H,11,21H2,1H3;1H/t19-,20+;/m0./s1.
What are the key properties of (1R,2S)-1-amino-1-(6-methoxynaphthalen-2-yl)-3-phenylpropan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-(6-methoxynaphthalen-2-yl)-3-phenylpropan-2-ol;hydrochloride has a molecular weight of 343.85 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(6-methoxynaphthalen-2-yl)-3-phenylpropan-2-ol;hydrochloride is sourced from PubChem (CID 171261088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).