N-butan-2-yl-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine

C16H25NO2 — CID 20553539

IUPACN-butan-2-yl-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCC(C)NC1CCc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C16H25NO2/c1-5-11(2)17-14-7-6-12-9-15(18-3)16(19-4)10-13(12)8-14/h9-11,14,17H,5-8H2,1-4H3
InChIKeyOEWONBUUKOZFSM-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.95
Rot. Bonds5

About N-butan-2-yl-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine

N-butan-2-yl-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 20553539) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-butan-2-yl-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID20553539
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-butan-2-yl-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCC(C)NC1CCc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C16H25NO2/c1-5-11(2)17-14-7-6-12-9-15(18-3)16(19-4)10-13(12)8-14/h9-11,14,17H,5-8H2,1-4H3
InChIKeyOEWONBUUKOZFSM-UHFFFAOYSA-N
XLogP2.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510447
7-methoxy-N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510559
8-bromo-N-butan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 19823465
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43223105
7-methoxy-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510216
2-[[6-(ethylamino)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl]sulfanyl]-2-methylpropanoic acid
CID 141135951
(2R)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 101368184
N-[(2R)-butan-2-yl]-2,3-dihydro-1H-inden-2-amine
CID 93092975
7-methoxy-N-(1-methylsulfanylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115901665
7-methoxy-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510335
2-(butan-2-ylamino)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 108993364
N-[1-(furan-2-yl)propan-2-yl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510373

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-butan-2-yl-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine (CID 20553539) is N-butan-2-yl-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-butan-2-yl-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-butan-2-yl-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine is CCC(C)NC1CCc2cc(OC)c(OC)cc2C1.
What is the InChIKey of N-butan-2-yl-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is OEWONBUUKOZFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-11(2)17-14-7-6-12-9-15(18-3)16(19-4)10-13(12)8-14/h9-11,14,17H,5-8H2,1-4H3.
What are the key properties of N-butan-2-yl-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
N-butan-2-yl-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 263.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 20553539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).