(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutan-1-amine

C17H23NO — CID 171213389

IUPAC(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutan-1-amine
SMILESCCOc1ccc2ccccc2c1[C@H](N)CC(C)C
InChIInChI=1S/C17H23NO/c1-4-19-16-10-9-13-7-5-6-8-14(13)17(16)15(18)11-12(2)3/h5-10,12,15H,4,11,18H2,1-3H3/t15-/m1/s1
InChIKeyVUSIHISKFSHESH-OAHLLOKOSA-N
MW257.38 g/mol
LogP4.28
Rot. Bonds5

About (1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutan-1-amine

(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutan-1-amine (PubChem CID 171213389) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is (1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutan-1-amine
PubChem CID171213389
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutan-1-amine
SMILESCCOc1ccc2ccccc2c1[C@H](N)CC(C)C
InChIInChI=1S/C17H23NO/c1-4-19-16-10-9-13-7-5-6-8-14(13)17(16)15(18)11-12(2)3/h5-10,12,15H,4,11,18H2,1-3H3/t15-/m1/s1
InChIKeyVUSIHISKFSHESH-OAHLLOKOSA-N
XLogP4.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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)propan-1-amine;hydrochloride
CID 171213379
(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
(1S)-1-(2-ethoxynaphthalen-1-yl)ethanol
CID 95420561
(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
methyl (2S)-2-amino-2-(2-ethoxynaphthalen-1-yl)acetate
CID 171213419

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutan-1-amine?
The IUPAC name of (1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutan-1-amine (CID 171213389) is (1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutan-1-amine.
What is the SMILES notation for (1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutan-1-amine?
The canonical SMILES for (1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutan-1-amine is CCOc1ccc2ccccc2c1[C@H](N)CC(C)C.
What is the InChIKey of (1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutan-1-amine?
The InChIKey is VUSIHISKFSHESH-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23NO/c1-4-19-16-10-9-13-7-5-6-8-14(13)17(16)15(18)11-12(2)3/h5-10,12,15H,4,11,18H2,1-3H3/t15-/m1/s1.
What are the key properties of (1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutan-1-amine?
(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 171213389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).