7-but-3-en-2-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C15H21NO — CID 114091134

IUPAC7-but-3-en-2-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC=CC(C)Oc1ccc2c(c1)C(NC)CCC2
InChIInChI=1S/C15H21NO/c1-4-11(2)17-13-9-8-12-6-5-7-15(16-3)14(12)10-13/h4,8-11,15-16H,1,5-7H2,2-3H3
InChIKeySNFHCHPRJLYIEB-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.24
Rot. Bonds4

About 7-but-3-en-2-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

7-but-3-en-2-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 114091134) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 7-but-3-en-2-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-but-3-en-2-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID114091134
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name7-but-3-en-2-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC=CC(C)Oc1ccc2c(c1)C(NC)CCC2
InChIInChI=1S/C15H21NO/c1-4-11(2)17-13-9-8-12-6-5-7-15(16-3)14(12)10-13/h4,8-11,15-16H,1,5-7H2,2-3H3
InChIKeySNFHCHPRJLYIEB-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-6-pentan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114013297
7-but-3-en-2-yloxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
CID 62390031
ethyl 2-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]butanoate
CID 64670120
N-but-3-en-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 115727850
6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83912581
7-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 62738038
2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
CID 79238997
2-[8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethanol
CID 140546210
3-[8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzoic acid
CID 82540277
N-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239587
N-methyl-5-(2-methylpropoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683424
N-cyclohexyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239408

Frequently Asked Questions

What is the IUPAC name of 7-but-3-en-2-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-but-3-en-2-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 114091134) is 7-but-3-en-2-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-but-3-en-2-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-but-3-en-2-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is C=CC(C)Oc1ccc2c(c1)C(NC)CCC2.
What is the InChIKey of 7-but-3-en-2-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is SNFHCHPRJLYIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-11(2)17-13-9-8-12-6-5-7-15(16-3)14(12)10-13/h4,8-11,15-16H,1,5-7H2,2-3H3.
What are the key properties of 7-but-3-en-2-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
7-but-3-en-2-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 231.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-but-3-en-2-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 114091134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).