(1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)-3-phenylpropan-2-ol;hydrochloride

C20H22ClNO — CID 171269476

IUPAC(1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)-3-phenylpropan-2-ol;hydrochloride
SMILESCc1ccc([C@H](N)[C@H](O)Cc2ccccc2)c2ccccc12.Cl
InChIInChI=1S/C20H21NO.ClH/c1-14-11-12-18(17-10-6-5-9-16(14)17)20(21)19(22)13-15-7-3-2-4-8-15;/h2-12,19-20,22H,13,21H2,1H3;1H/t19-,20+;/m1./s1
InChIKeyKMFVBDGDZDMZPR-FDOHDBATSA-N
MW327.86 g/mol
LogP4.17
Rot. Bonds4

About (1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)-3-phenylpropan-2-ol;hydrochloride

(1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)-3-phenylpropan-2-ol;hydrochloride (PubChem CID 171269476) has the molecular formula C20H22ClNO and a molecular weight of 327.86 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)-3-phenylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)-3-phenylpropan-2-ol;hydrochloride
PubChem CID171269476
Molecular FormulaC20H22ClNO
Molecular Weight327.86 g/mol
Exact Mass327.14
IUPAC Name(1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)-3-phenylpropan-2-ol;hydrochloride
SMILESCc1ccc([C@H](N)[C@H](O)Cc2ccccc2)c2ccccc12.Cl
InChIInChI=1S/C20H21NO.ClH/c1-14-11-12-18(17-10-6-5-9-16(14)17)20(21)19(22)13-15-7-3-2-4-8-15;/h2-12,19-20,22H,13,21H2,1H3;1H/t19-,20+;/m1./s1
InChIKeyKMFVBDGDZDMZPR-FDOHDBATSA-N
XLogP4.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]naphthalen-1-ol
CID 171263774
(1R,2S)-1-amino-1-(4-methylnaphthalen-1-yl)pentan-2-ol;hydrochloride
CID 171263797
(1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171267965
(1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)propan-2-ol
CID 171269449
(1S,2R)-1-amino-3-methyl-1-(4-methylnaphthalen-1-yl)butan-2-ol;hydrochloride
CID 171269462
2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]phenol
CID 171261356
(1S,2R)-1-amino-1-(3,5-dimethylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171267421
(1S,2R)-2-amino-1-cyclopropyl-2-(4-methylnaphthalen-1-yl)ethanol
CID 171263780
(1R,2S)-1-amino-1-(1H-indol-4-yl)-3-phenylpropan-2-ol;hydrochloride
CID 171262573
3-amino-1-(4-methylnaphthalen-1-yl)propane-1,2-diol
CID 170828749
3-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]benzene-1,2-diol
CID 171261361
3-amino-3-(4-methylnaphthalen-1-yl)propan-1-ol;hydrochloride
CID 170874773

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)-3-phenylpropan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)-3-phenylpropan-2-ol;hydrochloride (CID 171269476) is (1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)-3-phenylpropan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)-3-phenylpropan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)-3-phenylpropan-2-ol;hydrochloride is Cc1ccc([C@H](N)[C@H](O)Cc2ccccc2)c2ccccc12.Cl.
What is the InChIKey of (1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)-3-phenylpropan-2-ol;hydrochloride?
The InChIKey is KMFVBDGDZDMZPR-FDOHDBATSA-N. The full InChI is InChI=1S/C20H21NO.ClH/c1-14-11-12-18(17-10-6-5-9-16(14)17)20(21)19(22)13-15-7-3-2-4-8-15;/h2-12,19-20,22H,13,21H2,1H3;1H/t19-,20+;/m1./s1.
What are the key properties of (1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)-3-phenylpropan-2-ol;hydrochloride?
(1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)-3-phenylpropan-2-ol;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)-3-phenylpropan-2-ol;hydrochloride is sourced from PubChem (CID 171269476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).