2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butan-1-ol

C15H23NO — CID 115250760

IUPAC2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butan-1-ol
SMILESCCC(CO)CNCc1ccc2c(c1)CCC2
InChIInChI=1S/C15H23NO/c1-2-12(11-17)9-16-10-13-6-7-14-4-3-5-15(14)8-13/h6-8,12,16-17H,2-5,9-11H2,1H3
InChIKeyVXLIKYDUHLHJCE-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.28
Rot. Bonds6

About 2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butan-1-ol

2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butan-1-ol (PubChem CID 115250760) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butan-1-ol
PubChem CID115250760
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butan-1-ol
SMILESCCC(CO)CNCc1ccc2c(c1)CCC2
InChIInChI=1S/C15H23NO/c1-2-12(11-17)9-16-10-13-6-7-14-4-3-5-15(14)8-13/h6-8,12,16-17H,2-5,9-11H2,1H3
InChIKeyVXLIKYDUHLHJCE-UHFFFAOYSA-N
XLogP2.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butanoic acid
CID 115249897
2-[[(3,4-dimethylphenyl)methylamino]methyl]butan-1-ol
CID 115250742
2-[(naphthalen-2-ylmethylamino)methyl]butan-1-ol
CID 115250860
2-[[(4-bromophenyl)methylamino]methyl]butan-1-ol
CID 115250747
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737
2-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]butan-1-ol
CID 115250761
2-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1,3-diol
CID 65314706
1-cyclohexyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)ethanol
CID 166350994
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-2-amine
CID 43163778
4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)hexan-3-ol
CID 166262814
1-(furan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)ethanol
CID 166301544
2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diol
CID 83931756

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butan-1-ol?
The IUPAC name of 2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butan-1-ol (CID 115250760) is 2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butan-1-ol.
What is the SMILES notation for 2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butan-1-ol?
The canonical SMILES for 2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butan-1-ol is CCC(CO)CNCc1ccc2c(c1)CCC2.
What is the InChIKey of 2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butan-1-ol?
The InChIKey is VXLIKYDUHLHJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-12(11-17)9-16-10-13-6-7-14-4-3-5-15(14)8-13/h6-8,12,16-17H,2-5,9-11H2,1H3.
What are the key properties of 2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butan-1-ol?
2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butan-1-ol is sourced from PubChem (CID 115250760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).