(4R)-4-amino-4-(2-ethoxynaphthalen-1-yl)butan-1-ol;hydrochloride

C16H22ClNO2 — CID 171213427

IUPAC(4R)-4-amino-4-(2-ethoxynaphthalen-1-yl)butan-1-ol;hydrochloride
SMILESCCOc1ccc2ccccc2c1[C@H](N)CCCO.Cl
InChIInChI=1S/C16H21NO2.ClH/c1-2-19-15-10-9-12-6-3-4-7-13(12)16(15)14(17)8-5-11-18;/h3-4,6-7,9-10,14,18H,2,5,8,11,17H2,1H3;1H/t14-;/m1./s1
InChIKeyVDTXCUFDZKSUEY-PFEQFJNWSA-N
MW295.81 g/mol
LogP3.43
Rot. Bonds6

About (4R)-4-amino-4-(2-ethoxynaphthalen-1-yl)butan-1-ol;hydrochloride

(4R)-4-amino-4-(2-ethoxynaphthalen-1-yl)butan-1-ol;hydrochloride (PubChem CID 171213427) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is (4R)-4-amino-4-(2-ethoxynaphthalen-1-yl)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name(4R)-4-amino-4-(2-ethoxynaphthalen-1-yl)butan-1-ol;hydrochloride
PubChem CID171213427
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name(4R)-4-amino-4-(2-ethoxynaphthalen-1-yl)butan-1-ol;hydrochloride
SMILESCCOc1ccc2ccccc2c1[C@H](N)CCCO.Cl
InChIInChI=1S/C16H21NO2.ClH/c1-2-19-15-10-9-12-6-3-4-7-13(12)16(15)14(17)8-5-11-18;/h3-4,6-7,9-10,14,18H,2,5,8,11,17H2,1H3;1H/t14-;/m1./s1
InChIKeyVDTXCUFDZKSUEY-PFEQFJNWSA-N
XLogP3.43
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-3-(2-ethoxynaphthalen-1-yl)propan-1-ol;hydrochloride
CID 171213425
(1R)-1-(2-ethoxynaphthalen-1-yl)pentan-1-amine
CID 171213385
(1R)-1-(2-ethoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
CID 171213373
(1R)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171213379
1-(2-ethoxynaphthalen-1-yl)propan-1-amine
CID 82263032
(1S)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine
CID 95420558
(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutan-1-amine
CID 171213389
(1S)-1-(2-ethoxynaphthalen-1-yl)ethanol
CID 95420561
(1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171250833
methyl (2S)-2-amino-2-(2-ethoxynaphthalen-1-yl)acetate
CID 171213419
(1R)-1-(2-methoxynaphthalen-1-yl)pentane-1,5-diamine;hydrochloride
CID 171212923
(1R)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine
CID 66512241

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-(2-ethoxynaphthalen-1-yl)butan-1-ol;hydrochloride?
The IUPAC name of (4R)-4-amino-4-(2-ethoxynaphthalen-1-yl)butan-1-ol;hydrochloride (CID 171213427) is (4R)-4-amino-4-(2-ethoxynaphthalen-1-yl)butan-1-ol;hydrochloride.
What is the SMILES notation for (4R)-4-amino-4-(2-ethoxynaphthalen-1-yl)butan-1-ol;hydrochloride?
The canonical SMILES for (4R)-4-amino-4-(2-ethoxynaphthalen-1-yl)butan-1-ol;hydrochloride is CCOc1ccc2ccccc2c1[C@H](N)CCCO.Cl.
What is the InChIKey of (4R)-4-amino-4-(2-ethoxynaphthalen-1-yl)butan-1-ol;hydrochloride?
The InChIKey is VDTXCUFDZKSUEY-PFEQFJNWSA-N. The full InChI is InChI=1S/C16H21NO2.ClH/c1-2-19-15-10-9-12-6-3-4-7-13(12)16(15)14(17)8-5-11-18;/h3-4,6-7,9-10,14,18H,2,5,8,11,17H2,1H3;1H/t14-;/m1./s1.
What are the key properties of (4R)-4-amino-4-(2-ethoxynaphthalen-1-yl)butan-1-ol;hydrochloride?
(4R)-4-amino-4-(2-ethoxynaphthalen-1-yl)butan-1-ol;hydrochloride has a molecular weight of 295.81 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-4-(2-ethoxynaphthalen-1-yl)butan-1-ol;hydrochloride is sourced from PubChem (CID 171213427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).