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

C16H25NO — CID 62460874

IUPAC4-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCCCOc1ccc2c(c1)CCC2
InChIInChI=1S/C16H25NO/c1-13(2)17-10-3-4-11-18-16-9-8-14-6-5-7-15(14)12-16/h8-9,12-13,17H,3-7,10-11H2,1-2H3
InChIKeyPDDCFYLJSQAPPO-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.33
Rot. Bonds7

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

4-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-ylbutan-1-amine (PubChem CID 62460874) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-ylbutan-1-amine
PubChem CID62460874
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCCCOc1ccc2c(c1)CCC2
InChIInChI=1S/C16H25NO/c1-13(2)17-10-3-4-11-18-16-9-8-14-6-5-7-15(14)12-16/h8-9,12-13,17H,3-7,10-11H2,1-2H3
InChIKeyPDDCFYLJSQAPPO-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.33
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-tert-butyl-5-(2,3-dihydro-1H-inden-5-yloxy)pentan-1-amine
CID 62458571
5-(2,3-dihydro-1H-inden-5-yloxy)-N-propylpentan-1-amine
CID 55077053
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 55075397
3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62459279
5-(6-chlorohexoxy)-2,3-dihydro-1H-indene
CID 63499663
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]hexan-1-amine
CID 63516360
4-(3,4-dichlorophenoxy)-N-propan-2-ylbutan-1-amine
CID 2298232
N-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 65305272
5-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]hexan-2-amine
CID 63517229
5-(3,4-dichlorophenoxy)-N-propan-2-ylpentan-1-amine
CID 62485763
3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium
CID 7380399

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-ylbutan-1-amine (CID 62460874) is 4-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-ylbutan-1-amine is CC(C)NCCCCOc1ccc2c(c1)CCC2.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-ylbutan-1-amine?
The InChIKey is PDDCFYLJSQAPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(2)17-10-3-4-11-18-16-9-8-14-6-5-7-15(14)12-16/h8-9,12-13,17H,3-7,10-11H2,1-2H3.
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-ylbutan-1-amine?
4-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-ylbutan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.33, 7 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-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62460874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).