N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine

C15H21NO — CID 66357997

IUPACN-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine
SMILESCNC1CC(OC2CCCc3ccccc32)C1
InChIInChI=1S/C15H21NO/c1-16-12-9-13(10-12)17-15-8-4-6-11-5-2-3-7-14(11)15/h2-3,5,7,12-13,15-16H,4,6,8-10H2,1H3
InChIKeyXWMNQBIASFPWRL-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.83
Rot. Bonds3

About N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine

N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine (PubChem CID 66357997) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine
PubChem CID66357997
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine
SMILESCNC1CC(OC2CCCc3ccccc32)C1
InChIInChI=1S/C15H21NO/c1-16-12-9-13(10-12)17-15-8-4-6-11-5-2-3-7-14(11)15/h2-3,5,7,12-13,15-16H,4,6,8-10H2,1H3
InChIKeyXWMNQBIASFPWRL-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine
CID 104674500
N,2,2-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine
CID 66357591
2,2-dimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-ol
CID 66366089
N-(1,2,3,4-tetrahydronaphthalen-1-yloxy)methanimine
CID 174418938
(1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,2,3,4-tetrahydronaphthalene
CID 101156511
1-(3-chloro-2,2-diethylcyclobutyl)oxy-1,2,3,4-tetrahydronaphthalene
CID 66345937
3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)spiro[3.4]octan-1-ol
CID 66366088
2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)oxane
CID 11085661
N-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]butan-2-amine
CID 62571109
3-ethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclobutan-1-amine
CID 103917323
N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethanamine;hydrochloride
CID 67867639
N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine
CID 123748338

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine?
The IUPAC name of N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine (CID 66357997) is N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine.
What is the SMILES notation for N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine?
The canonical SMILES for N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine is CNC1CC(OC2CCCc3ccccc32)C1.
What is the InChIKey of N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine?
The InChIKey is XWMNQBIASFPWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-16-12-9-13(10-12)17-15-8-4-6-11-5-2-3-7-14(11)15/h2-3,5,7,12-13,15-16H,4,6,8-10H2,1H3.
What are the key properties of N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine?
N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine is sourced from PubChem (CID 66357997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).