1-(2,3-dihydro-1H-inden-5-yl)-3-(1-methoxycyclobutyl)propan-2-amine

C17H25NO — CID 103559393

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-(1-methoxycyclobutyl)propan-2-amine
SMILESCOC1(CC(N)Cc2ccc3c(c2)CCC3)CCC1
InChIInChI=1S/C17H25NO/c1-19-17(8-3-9-17)12-16(18)11-13-6-7-14-4-2-5-15(14)10-13/h6-7,10,16H,2-5,8-9,11-12,18H2,1H3
InChIKeyRUOLDHGNBWLXSZ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.00
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yl)-3-(1-methoxycyclobutyl)propan-2-amine

1-(2,3-dihydro-1H-inden-5-yl)-3-(1-methoxycyclobutyl)propan-2-amine (PubChem CID 103559393) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-(1-methoxycyclobutyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-(1-methoxycyclobutyl)propan-2-amine
PubChem CID103559393
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-(1-methoxycyclobutyl)propan-2-amine
SMILESCOC1(CC(N)Cc2ccc3c(c2)CCC3)CCC1
InChIInChI=1S/C17H25NO/c1-19-17(8-3-9-17)12-16(18)11-13-6-7-14-4-2-5-15(14)10-13/h6-7,10,16H,2-5,8-9,11-12,18H2,1H3
InChIKeyRUOLDHGNBWLXSZ-UHFFFAOYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103556970
1-(2,3-dihydro-1H-inden-5-yl)-5-methoxypentan-2-amine
CID 65092625
methyl 3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate
CID 82351473
1-(1-methoxycyclobutyl)-3-thiophen-2-ylpropan-2-amine
CID 103556889
1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanylpropan-2-amine
CID 65127704
1-(furan-2-yl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103559759
1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 103559132
1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methoxypentan-2-amine
CID 116760450
1-(5-bromo-2-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103559107
1-cyclopentyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-amine
CID 115865018
3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoic acid
CID 82350821
[1-(2,3-dihydro-1H-inden-5-ylmethoxy)cycloheptyl]methanamine
CID 65051582

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-(1-methoxycyclobutyl)propan-2-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-(1-methoxycyclobutyl)propan-2-amine (CID 103559393) is 1-(2,3-dihydro-1H-inden-5-yl)-3-(1-methoxycyclobutyl)propan-2-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-(1-methoxycyclobutyl)propan-2-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-(1-methoxycyclobutyl)propan-2-amine is COC1(CC(N)Cc2ccc3c(c2)CCC3)CCC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-(1-methoxycyclobutyl)propan-2-amine?
The InChIKey is RUOLDHGNBWLXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-19-17(8-3-9-17)12-16(18)11-13-6-7-14-4-2-5-15(14)10-13/h6-7,10,16H,2-5,8-9,11-12,18H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-(1-methoxycyclobutyl)propan-2-amine?
1-(2,3-dihydro-1H-inden-5-yl)-3-(1-methoxycyclobutyl)propan-2-amine has a molecular weight of 259.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-3-(1-methoxycyclobutyl)propan-2-amine is sourced from PubChem (CID 103559393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).