(1S)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine

C15H19NO — CID 95420558

IUPAC(1S)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine
SMILESCCOc1ccc2ccccc2c1[C@@H](N)CC
InChIInChI=1S/C15H19NO/c1-3-13(16)15-12-8-6-5-7-11(12)9-10-14(15)17-4-2/h5-10,13H,3-4,16H2,1-2H3/t13-/m0/s1
InChIKeyQBXYKNVLVBJOKY-ZDUSSCGKSA-N
MW229.32 g/mol
LogP3.65
Rot. Bonds4

About (1S)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine

(1S)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine (PubChem CID 95420558) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (1S)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine
PubChem CID95420558
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(1S)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine
SMILESCCOc1ccc2ccccc2c1[C@@H](N)CC
InChIInChI=1S/C15H19NO/c1-3-13(16)15-12-8-6-5-7-11(12)9-10-14(15)17-4-2/h5-10,13H,3-4,16H2,1-2H3/t13-/m0/s1
InChIKeyQBXYKNVLVBJOKY-ZDUSSCGKSA-N
XLogP3.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxynaphthalen-1-yl)propan-1-amine
CID 82263032
(1R)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171213379
(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutan-1-amine
CID 171213389
(1R)-1-(2-ethoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
CID 171213373
(1R)-1-(2-ethoxynaphthalen-1-yl)pentan-1-amine
CID 171213385
(3R)-3-amino-3-(2-ethoxynaphthalen-1-yl)propan-1-ol;hydrochloride
CID 171213425
(4R)-4-amino-4-(2-ethoxynaphthalen-1-yl)butan-1-ol;hydrochloride
CID 171213427
(1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine
CID 66512251
(1R)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine
CID 66512241
(1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171250833
3-amino-1-(2-ethoxynaphthalen-1-yl)propane-1,2-diol
CID 170829187
(1S)-1-(2-ethoxynaphthalen-1-yl)ethanol
CID 95420561

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine?
The IUPAC name of (1S)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine (CID 95420558) is (1S)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine.
What is the SMILES notation for (1S)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine?
The canonical SMILES for (1S)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine is CCOc1ccc2ccccc2c1[C@@H](N)CC.
What is the InChIKey of (1S)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine?
The InChIKey is QBXYKNVLVBJOKY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-13(16)15-12-8-6-5-7-11(12)9-10-14(15)17-4-2/h5-10,13H,3-4,16H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine?
(1S)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine has a molecular weight of 229.32 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine is sourced from PubChem (CID 95420558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).