3-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol

C15H23NO — CID 107089566

IUPAC3-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol
SMILESCCCC(C)CC1(O)CC(N)c2ccccc21
InChIInChI=1S/C15H23NO/c1-3-6-11(2)9-15(17)10-14(16)12-7-4-5-8-13(12)15/h4-5,7-8,11,14,17H,3,6,9-10,16H2,1-2H3
InChIKeyPGAQIJCFZVXXBU-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.10
Rot. Bonds4

About 3-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol

3-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol (PubChem CID 107089566) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol
PubChem CID107089566
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol
SMILESCCCC(C)CC1(O)CC(N)c2ccccc21
InChIInChI=1S/C15H23NO/c1-3-6-11(2)9-15(17)10-14(16)12-7-4-5-8-13(12)15/h4-5,7-8,11,14,17H,3,6,9-10,16H2,1-2H3
InChIKeyPGAQIJCFZVXXBU-UHFFFAOYSA-N
XLogP3.10
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(4,4-dimethylpentyl)-2,3-dihydroinden-1-ol
CID 114209780
3-amino-2,3-dihydroindene-1,1-diol
CID 70048051
5-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol
CID 80562590
3-amino-1-(2-thiophen-2-ylethyl)-2,3-dihydroinden-1-ol
CID 107089609
3-amino-1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,3-dihydroinden-1-ol
CID 107089736
1-amino-4-methyl-4-(2-propylhexyl)-2,3-dihydro-1H-naphthalen-2-ol
CID 123408572
1-(3,4-dihydro-2H-chromen-4-yl)-3-methylhexan-1-one
CID 65409121
3-amino-1-(2,6-difluoro-3-methylphenyl)-2,3-dihydroinden-1-ol
CID 107089749
3-(2-methylpentyl)-3-phenylazetidine
CID 79451361
3-amino-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol
CID 107089666
5-(2-methylbutyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 65147296
3-amino-1-(2-phenylcyclopropyl)-2,3-dihydroinden-1-ol
CID 107089509

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 3-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol (CID 107089566) is 3-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 3-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 3-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol is CCCC(C)CC1(O)CC(N)c2ccccc21.
What is the InChIKey of 3-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol?
The InChIKey is PGAQIJCFZVXXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-6-11(2)9-15(17)10-14(16)12-7-4-5-8-13(12)15/h4-5,7-8,11,14,17H,3,6,9-10,16H2,1-2H3.
What are the key properties of 3-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol?
3-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol has a molecular weight of 233.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 107089566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).