N-(1-cyclobutylethyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine

C16H23NO — CID 113349188

IUPACN-(1-cyclobutylethyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(NC(C)C1CCC1)CC2
InChIInChI=1S/C16H23NO/c1-11(12-4-3-5-12)17-16-9-7-13-6-8-14(18-2)10-15(13)16/h6,8,10-12,16-17H,3-5,7,9H2,1-2H3
InChIKeyPMQICSAJZGGVJA-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.46
Rot. Bonds4

About N-(1-cyclobutylethyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine

N-(1-cyclobutylethyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 113349188) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(1-cyclobutylethyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(1-cyclobutylethyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID113349188
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-(1-cyclobutylethyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(NC(C)C1CCC1)CC2
InChIInChI=1S/C16H23NO/c1-11(12-4-3-5-12)17-16-9-7-13-6-8-14(18-2)10-15(13)16/h6,8,10-12,16-17H,3-5,7,9H2,1-2H3
InChIKeyPMQICSAJZGGVJA-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclobutylethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 113348472
N-(1,1-dimethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366506
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79369338
N-but-3-en-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 115727850
(2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114986964
N-cyclopropyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366110
6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 79366051
6-methoxy-N-[(1S)-1-thiophen-2-ylethyl]-2,3-dihydro-1H-inden-1-amine
CID 81398619
N-(1-ethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366954
6-methoxy-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine
CID 115890286
N-[(1S)-1-cyclohexylethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510632
6-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81363584

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(1-cyclobutylethyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine (CID 113349188) is N-(1-cyclobutylethyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(1-cyclobutylethyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(1-cyclobutylethyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)C(NC(C)C1CCC1)CC2.
What is the InChIKey of N-(1-cyclobutylethyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is PMQICSAJZGGVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-11(12-4-3-5-12)17-16-9-7-13-6-8-14(18-2)10-15(13)16/h6,8,10-12,16-17H,3-5,7,9H2,1-2H3.
What are the key properties of N-(1-cyclobutylethyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
N-(1-cyclobutylethyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylethyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 113349188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).