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

C19H19NO — CID 10107559

IUPAC(1R,2R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol
SMILESNC[C@@H](c1ccc2ccccc2c1)[C@@H](O)c1ccccc1
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-OALUTQOASA-N
MW277.37 g/mol
LogP3.62
Rot. Bonds4

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

(1R,2R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol (PubChem CID 10107559) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is (1R,2R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol
PubChem CID10107559
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name(1R,2R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol
SMILESNC[C@@H](c1ccc2ccccc2c1)[C@@H](O)c1ccccc1
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-OALUTQOASA-N
XLogP3.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol?
The IUPAC name of (1R,2R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol (CID 10107559) is (1R,2R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol.
What is the SMILES notation for (1R,2R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol?
The canonical SMILES for (1R,2R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol is NC[C@@H](c1ccc2ccccc2c1)[C@@H](O)c1ccccc1.
What is the InChIKey of (1R,2R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol?
The InChIKey is KLPCBCDMRUJYFL-OALUTQOASA-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,2R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol?
(1R,2R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol has a molecular weight of 277.37 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol is sourced from PubChem (CID 10107559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).