N-ethyl-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine

C17H27NO — CID 62486153

IUPACN-ethyl-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
SMILESCCNCC(Oc1ccc2c(c1)CCCC2)C(C)C
InChIInChI=1S/C17H27NO/c1-4-18-12-17(13(2)3)19-16-10-9-14-7-5-6-8-15(14)11-16/h9-11,13,17-18H,4-8,12H2,1-3H3
InChIKeyCFQMLIPBOJCZQH-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.58
Rot. Bonds6

About N-ethyl-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine

N-ethyl-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine (PubChem CID 62486153) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-ethyl-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
PubChem CID62486153
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-ethyl-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
SMILESCCNCC(Oc1ccc2c(c1)CCCC2)C(C)C
InChIInChI=1S/C17H27NO/c1-4-18-12-17(13(2)3)19-16-10-9-14-7-5-6-8-15(14)11-16/h9-11,13,17-18H,4-8,12H2,1-3H3
InChIKeyCFQMLIPBOJCZQH-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-propyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 63496310
3-methyl-N-(2-methylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 63496494
2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutan-1-amine
CID 62459614
2-(3,4-dimethylphenoxy)-N-ethyl-3-methylbutan-1-amine
CID 62453580
2-(3,4-dichlorophenoxy)-N-ethyl-3-methylbutan-1-amine
CID 55076972
N-ethyl-3-methyl-2-(3-methyl-4-propan-2-ylphenoxy)butan-1-amine
CID 55195060
2-(4-bromophenoxy)-N-ethyl-3-methylbutan-1-amine
CID 62453543
N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 62583134
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55093056
N-ethyl-3-methyl-2-(4-phenylphenoxy)butan-1-amine
CID 63491979
N-propyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentan-2-amine
CID 64718686
N-[2-(2,3-dihydro-1H-inden-5-yloxy)propyl]aniline
CID 62598550

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine?
The IUPAC name of N-ethyl-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine (CID 62486153) is N-ethyl-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine is CCNCC(Oc1ccc2c(c1)CCCC2)C(C)C.
What is the InChIKey of N-ethyl-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine?
The InChIKey is CFQMLIPBOJCZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-18-12-17(13(2)3)19-16-10-9-14-7-5-6-8-15(14)11-16/h9-11,13,17-18H,4-8,12H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine?
N-ethyl-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine is sourced from PubChem (CID 62486153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).