(1R)-1-(2-ethoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride

C15H21ClN2O — CID 171213373

IUPAC(1R)-1-(2-ethoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
SMILESCCOc1ccc2ccccc2c1[C@H](N)CCN.Cl
InChIInChI=1S/C15H20N2O.ClH/c1-2-18-14-8-7-11-5-3-4-6-12(11)15(14)13(17)9-10-16;/h3-8,13H,2,9-10,16-17H2,1H3;1H/t13-;/m1./s1
InChIKeyDISVZEXKURCBGU-BTQNPOSSSA-N
MW280.80 g/mol
LogP3.01
Rot. Bonds5

About (1R)-1-(2-ethoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride

(1R)-1-(2-ethoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride (PubChem CID 171213373) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is (1R)-1-(2-ethoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-ethoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
PubChem CID171213373
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name(1R)-1-(2-ethoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
SMILESCCOc1ccc2ccccc2c1[C@H](N)CCN.Cl
InChIInChI=1S/C15H20N2O.ClH/c1-2-18-14-8-7-11-5-3-4-6-12(11)15(14)13(17)9-10-16;/h3-8,13H,2,9-10,16-17H2,1H3;1H/t13-;/m1./s1
InChIKeyDISVZEXKURCBGU-BTQNPOSSSA-N
XLogP3.01
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.01
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)propan-1-amine;hydrochloride
CID 171213379
(1R)-1-(2-ethoxynaphthalen-1-yl)pentan-1-amine
CID 171213385
1-(2-ethoxynaphthalen-1-yl)propan-1-amine
CID 82263032
(1S)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine
CID 95420558
(4R)-4-amino-4-(2-ethoxynaphthalen-1-yl)butan-1-ol;hydrochloride
CID 171213427
(1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
CID 171232538
(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutan-1-amine
CID 171213389
(1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171250833
(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
(1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine
CID 66512251

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-ethoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride?
The IUPAC name of (1R)-1-(2-ethoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride (CID 171213373) is (1R)-1-(2-ethoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-ethoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(2-ethoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride is CCOc1ccc2ccccc2c1[C@H](N)CCN.Cl.
What is the InChIKey of (1R)-1-(2-ethoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride?
The InChIKey is DISVZEXKURCBGU-BTQNPOSSSA-N. The full InChI is InChI=1S/C15H20N2O.ClH/c1-2-18-14-8-7-11-5-3-4-6-12(11)15(14)13(17)9-10-16;/h3-8,13H,2,9-10,16-17H2,1H3;1H/t13-;/m1./s1.
What are the key properties of (1R)-1-(2-ethoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride?
(1R)-1-(2-ethoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride has a molecular weight of 280.80 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-ethoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 171213373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).