(2S)-N-ethyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-2-amine

C15H23NO — CID 129390519

IUPAC(2S)-N-ethyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCOc1ccc2c(c1)CC[C@H](NCC)C2
InChIInChI=1S/C15H23NO/c1-3-9-17-15-8-6-12-10-14(16-4-2)7-5-13(12)11-15/h6,8,11,14,16H,3-5,7,9-10H2,1-2H3/t14-/m0/s1
InChIKeyYGLUGOOAICUITE-AWEZNQCLSA-N
MW233.35 g/mol
LogP2.94
Rot. Bonds5

About (2S)-N-ethyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-2-amine

(2S)-N-ethyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 129390519) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (2S)-N-ethyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2S)-N-ethyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID129390519
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(2S)-N-ethyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCOc1ccc2c(c1)CC[C@H](NCC)C2
InChIInChI=1S/C15H23NO/c1-3-9-17-15-8-6-12-10-14(16-4-2)7-5-13(12)11-15/h6,8,11,14,16H,3-5,7,9-10H2,1-2H3/t14-/m0/s1
InChIKeyYGLUGOOAICUITE-AWEZNQCLSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 169040576
6-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 23634994
7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 13472347
N-[6-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 68916780
N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 115510402
N-benzyl-3-hexoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 18007334
[(2R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]hydrazine
CID 124537599
2-[(2S)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-amine
CID 71030229
6-(4-propoxyphenyl)-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853601
2-pentyl-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500384
N-(3-butoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115572613

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2S)-N-ethyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-2-amine (CID 129390519) is (2S)-N-ethyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2S)-N-ethyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2S)-N-ethyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-2-amine is CCCOc1ccc2c(c1)CC[C@H](NCC)C2.
What is the InChIKey of (2S)-N-ethyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is YGLUGOOAICUITE-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-9-17-15-8-6-12-10-14(16-4-2)7-5-13(12)11-15/h6,8,11,14,16H,3-5,7,9-10H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-N-ethyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
(2S)-N-ethyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 233.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 129390519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).