N-but-3-en-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine

C14H19NO — CID 115727850

IUPACN-but-3-en-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESC=CC(C)NC1CCc2ccc(OC)cc21
InChIInChI=1S/C14H19NO/c1-4-10(2)15-14-8-6-11-5-7-12(16-3)9-13(11)14/h4-5,7,9-10,14-15H,1,6,8H2,2-3H3
InChIKeyFOTCDPMDTRXCGV-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.85
Rot. Bonds4

About N-but-3-en-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine

N-but-3-en-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 115727850) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-but-3-en-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-but-3-en-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID115727850
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-but-3-en-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESC=CC(C)NC1CCc2ccc(OC)cc21
InChIInChI=1S/C14H19NO/c1-4-10(2)15-14-8-6-11-5-7-12(16-3)9-13(11)14/h4-5,7,9-10,14-15H,1,6,8H2,2-3H3
InChIKeyFOTCDPMDTRXCGV-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.85
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

6-methoxy-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine
CID 115890286
N-(1,1-dimethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366506
(2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114986964
N-(1-cyclobutylethyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 113349188
6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 79366051
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79369338
N-(1-ethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366954
6-methoxy-N-[(1S)-1-thiophen-2-ylethyl]-2,3-dihydro-1H-inden-1-amine
CID 81398619
6-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81363584
N-heptan-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366850
N-cyclopropyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366110
N-[(1S)-1-(2-chlorophenyl)ethyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 81374651

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-but-3-en-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine (CID 115727850) is N-but-3-en-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-but-3-en-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-but-3-en-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine is C=CC(C)NC1CCc2ccc(OC)cc21.
What is the InChIKey of N-but-3-en-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is FOTCDPMDTRXCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-10(2)15-14-8-6-11-5-7-12(16-3)9-13(11)14/h4-5,7,9-10,14-15H,1,6,8H2,2-3H3.
What are the key properties of N-but-3-en-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine?
N-but-3-en-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 217.31 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115727850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).