(1S,4R)-4-ethoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine

C14H21NO — CID 135270607

IUPAC(1S,4R)-4-ethoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCN[C@H]1CC[C@@H](OCC)c2ccccc21
InChIInChI=1S/C14H21NO/c1-3-15-13-9-10-14(16-4-2)12-8-6-5-7-11(12)13/h5-8,13-15H,3-4,9-10H2,1-2H3/t13-,14+/m0/s1
InChIKeyUFKVBSWMPLLTNY-UONOGXRCSA-N
MW219.33 g/mol
LogP3.21
Rot. Bonds4

About (1S,4R)-4-ethoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine

(1S,4R)-4-ethoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 135270607) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (1S,4R)-4-ethoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S,4R)-4-ethoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID135270607
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(1S,4R)-4-ethoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCN[C@H]1CC[C@@H](OCC)c2ccccc21
InChIInChI=1S/C14H21NO/c1-3-15-13-9-10-14(16-4-2)12-8-6-5-7-11(12)13/h5-8,13-15H,3-4,9-10H2,1-2H3/t13-,14+/m0/s1
InChIKeyUFKVBSWMPLLTNY-UONOGXRCSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(4S)-4-(ethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]acetonitrile
CID 155149807
(1S,4S)-4-ethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 129049973
N-ethyl-1-methyl-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 82887770
(1S,4S)-4-(3,4-dichlorophenyl)-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 101168921
[(1R,4R)-4-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-yl] acetate
CID 67461460
1-ethoxy-3,3-dimethyl-1,2-dihydroindene
CID 135037785
N-ethyl-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 61383418
4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63272138
(2S,4R)-4-ethoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 131014008
1-(cyclopentylmethyl)-N-ethyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336346
4-(2-ethoxyethoxy)-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63091187
N-[(1S)-4-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 70619318

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-4-ethoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S,4R)-4-ethoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 135270607) is (1S,4R)-4-ethoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S,4R)-4-ethoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S,4R)-4-ethoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCN[C@H]1CC[C@@H](OCC)c2ccccc21.
What is the InChIKey of (1S,4R)-4-ethoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is UFKVBSWMPLLTNY-UONOGXRCSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-15-13-9-10-14(16-4-2)12-8-6-5-7-11(12)13/h5-8,13-15H,3-4,9-10H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of (1S,4R)-4-ethoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S,4R)-4-ethoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-4-ethoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 135270607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).