(1R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol

C19H19NO — CID 69454235

IUPAC(1R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol
SMILESC1=CC=C(C=C1)[C@@H](C(CN)C2=CC3=CC=CC=C3C=C2)O
InChIInChI=1S/C19H19NO/c20-13-18(19(21)15-7-2-1-3-8-15)17-11-10-14-6-4-5-9-16(14)12-17/h1-12,18-19,21H,13,20H2/t18?,19-/m0/s1
InChIKeyKLPCBCDMRUJYFL-GGYWPGCISA-N
MW277.40 g/mol
LogP3.10
Rot. Bonds4

About (1R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol

(1R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol (PubChem CID 69454235) has the molecular formula C19H19NO and a molecular weight of 277.40 g/mol. Its IUPAC name is (1R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol
PubChem CID69454235
Molecular FormulaC19H19NO
Molecular Weight277.40 g/mol
Exact Mass277.15
IUPAC Name(1R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol
SMILESC1=CC=C(C=C1)[C@@H](C(CN)C2=CC3=CC=CC=C3C=C2)O
InChIInChI=1S/C19H19NO/c20-13-18(19(21)15-7-2-1-3-8-15)17-11-10-14-6-4-5-9-16(14)12-17/h1-12,18-19,21H,13,20H2/t18?,19-/m0/s1
InChIKeyKLPCBCDMRUJYFL-GGYWPGCISA-N
XLogP3.10
TPSA46.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity313

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Pronethalol
CID 4930
Pronetalol hydrochloride
CID 60975
(1S,2S)-3-(Methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 20631904
2-Amino-1-(naphthalen-2-yl)ethan-1-ol
CID 2735379
Butidrine
CID 15177
Pronetalol, (R)-
CID 6604181
(1R,2S)-1-cyclohexyl-3-(dimethylamino)-2-naphthalen-2-ylpropan-1-ol
CID 11630988
(1R,2R)-3-(methylamino)-2-(naphthalen-2-yl)-1-phenylpropan-1-ol
CID 20631901
SN 1796
CID 213804
2-Amino-1-(naphthalen-1-yl)ethan-1-ol
CID 16768136
(2R,3R)-1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride
CID 45262335
(1R,2R)-3-(dimethylamino)-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride
CID 45262414

Frequently Asked Questions

What is the IUPAC name of (1R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol?
The IUPAC name of (1R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol (CID 69454235) is (1R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol.
What is the SMILES notation for (1R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol?
The canonical SMILES for (1R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol is C1=CC=C(C=C1)[C@@H](C(CN)C2=CC3=CC=CC=C3C=C2)O.
What is the InChIKey of (1R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol?
The InChIKey is KLPCBCDMRUJYFL-GGYWPGCISA-N. The full InChI is InChI=1S/C19H19NO/c20-13-18(19(21)15-7-2-1-3-8-15)17-11-10-14-6-4-5-9-16(14)12-17/h1-12,18-19,21H,13,20H2/t18?,19-/m0/s1.
What are the key properties of (1R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol?
(1R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol has a molecular weight of 277.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol is sourced from PubChem (CID 69454235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).