(2R,3R)-1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride

C17H24ClNO — CID 45262335

IUPAC(2R,3R)-1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride
SMILESCC(C)(C)[C@H](O)[C@@H](CN)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C17H23NO.ClH/c1-17(2,3)16(19)15(11-18)14-9-8-12-6-4-5-7-13(12)10-14;/h4-10,15-16,19H,11,18H2,1-3H3;1H/t15-,16+;/m0./s1
InChIKeyJTDIXQXYTWHVIP-IDVLALEDSA-N
MW293.84 g/mol
LogP3.71
Rot. Bonds3

About (2R,3R)-1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride

(2R,3R)-1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride (PubChem CID 45262335) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is (2R,3R)-1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride.

Molecular Properties

Compound Name(2R,3R)-1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride
PubChem CID45262335
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name(2R,3R)-1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride
SMILESCC(C)(C)[C@H](O)[C@@H](CN)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C17H23NO.ClH/c1-17(2,3)16(19)15(11-18)14-9-8-12-6-4-5-7-13(12)10-14;/h4-10,15-16,19H,11,18H2,1-3H3;1H/t15-,16+;/m0./s1
InChIKeyJTDIXQXYTWHVIP-IDVLALEDSA-N
XLogP3.71
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride?
The IUPAC name of (2R,3R)-1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride (CID 45262335) is (2R,3R)-1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride.
What is the SMILES notation for (2R,3R)-1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride?
The canonical SMILES for (2R,3R)-1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride is CC(C)(C)[C@H](O)[C@@H](CN)c1ccc2ccccc2c1.Cl.
What is the InChIKey of (2R,3R)-1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride?
The InChIKey is JTDIXQXYTWHVIP-IDVLALEDSA-N. The full InChI is InChI=1S/C17H23NO.ClH/c1-17(2,3)16(19)15(11-18)14-9-8-12-6-4-5-7-13(12)10-14;/h4-10,15-16,19H,11,18H2,1-3H3;1H/t15-,16+;/m0./s1.
What are the key properties of (2R,3R)-1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride?
(2R,3R)-1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride has a molecular weight of 293.84 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride is sourced from PubChem (CID 45262335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).