4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpentan-1-amine

C15H23NO — CID 62460723

IUPAC4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpentan-1-amine
SMILESCNCCCC(C)Oc1ccc2c(c1)CCC2
InChIInChI=1S/C15H23NO/c1-12(5-4-10-16-2)17-15-9-8-13-6-3-7-14(13)11-15/h8-9,11-12,16H,3-7,10H2,1-2H3
InChIKeySMAWGSXBUWTUNE-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.94
Rot. Bonds6

About 4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpentan-1-amine

4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpentan-1-amine (PubChem CID 62460723) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpentan-1-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpentan-1-amine
PubChem CID62460723
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpentan-1-amine
SMILESCNCCCC(C)Oc1ccc2c(c1)CCC2
InChIInChI=1S/C15H23NO/c1-12(5-4-10-16-2)17-15-9-8-13-6-3-7-14(13)11-15/h8-9,11-12,16H,3-7,10H2,1-2H3
InChIKeySMAWGSXBUWTUNE-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.94
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

2-(2,3-dihydro-1H-inden-5-yloxy)-4-(methylamino)butanoic acid
CID 112518654
4-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-ol
CID 64719056
4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanehydrazide
CID 55214976
N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 62583134
N-[2-(2,3-dihydro-1H-inden-5-yloxy)propyl]aniline
CID 62598550
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55093056
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
N-propyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentan-2-amine
CID 64718686
4-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-ylbutan-1-amine
CID 62460874
3-(2,3-dihydro-1H-inden-5-yloxy)butan-2-amine
CID 61354580
2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutan-1-amine
CID 62459614
N-ethyl-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 62486153

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpentan-1-amine?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpentan-1-amine (CID 62460723) is 4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpentan-1-amine.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpentan-1-amine?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpentan-1-amine is CNCCCC(C)Oc1ccc2c(c1)CCC2.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpentan-1-amine?
The InChIKey is SMAWGSXBUWTUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(5-4-10-16-2)17-15-9-8-13-6-3-7-14(13)11-15/h8-9,11-12,16H,3-7,10H2,1-2H3.
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpentan-1-amine?
4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpentan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpentan-1-amine is sourced from PubChem (CID 62460723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).