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

C18H29NO — CID 63496310

IUPAC3-methyl-N-propyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
SMILESCCCNCC(Oc1ccc2c(c1)CCCC2)C(C)C
InChIInChI=1S/C18H29NO/c1-4-11-19-13-18(14(2)3)20-17-10-9-15-7-5-6-8-16(15)12-17/h9-10,12,14,18-19H,4-8,11,13H2,1-3H3
InChIKeyJUFPIPPTNQLIBU-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.97
Rot. Bonds7

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

3-methyl-N-propyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine (PubChem CID 63496310) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-methyl-N-propyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
PubChem CID63496310
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3-methyl-N-propyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
SMILESCCCNCC(Oc1ccc2c(c1)CCCC2)C(C)C
InChIInChI=1S/C18H29NO/c1-4-11-19-13-18(14(2)3)20-17-10-9-15-7-5-6-8-16(15)12-17/h9-10,12,14,18-19H,4-8,11,13H2,1-3H3
InChIKeyJUFPIPPTNQLIBU-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 62486153
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-methoxy-N-propylpropan-1-amine
CID 103228424
3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propylpropan-1-amine
CID 62459278
3-methyl-2-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine
CID 63498370
2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutan-1-amine
CID 62459614
3-methyl-2-phenoxy-N-propylbutan-1-amine
CID 62454475
2-(3-methoxyphenoxy)-3-methyl-N-propylbutan-1-amine
CID 62454884
N-propyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentan-2-amine
CID 64718686
N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 62583134
1-(2,3-dihydro-1H-inden-5-yloxy)-3-(propylamino)propan-2-ol
CID 43166218
N-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 88611694

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine?
The IUPAC name of 3-methyl-N-propyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine (CID 63496310) is 3-methyl-N-propyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine.
What is the SMILES notation for 3-methyl-N-propyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine?
The canonical SMILES for 3-methyl-N-propyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine is CCCNCC(Oc1ccc2c(c1)CCCC2)C(C)C.
What is the InChIKey of 3-methyl-N-propyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine?
The InChIKey is JUFPIPPTNQLIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-11-19-13-18(14(2)3)20-17-10-9-15-7-5-6-8-16(15)12-17/h9-10,12,14,18-19H,4-8,11,13H2,1-3H3.
What are the key properties of 3-methyl-N-propyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine?
3-methyl-N-propyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine is sourced from PubChem (CID 63496310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).