(3-aminophenyl)-(2,3-dihydro-1H-inden-5-yl)methanol

C16H17NO — CID 114194374

IUPAC(3-aminophenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
SMILESNc1cccc(C(O)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C16H17NO/c17-15-6-2-5-13(10-15)16(18)14-8-7-11-3-1-4-12(11)9-14/h2,5-10,16,18H,1,3-4,17H2
InChIKeyRBNCHKAEHGVTTA-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.84
Rot. Bonds2

About (3-aminophenyl)-(2,3-dihydro-1H-inden-5-yl)methanol

(3-aminophenyl)-(2,3-dihydro-1H-inden-5-yl)methanol (PubChem CID 114194374) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is (3-aminophenyl)-(2,3-dihydro-1H-inden-5-yl)methanol.

Molecular Properties

Compound Name(3-aminophenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
PubChem CID114194374
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name(3-aminophenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
SMILESNc1cccc(C(O)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C16H17NO/c17-15-6-2-5-13(10-15)16(18)14-8-7-11-3-1-4-12(11)9-14/h2,5-10,16,18H,1,3-4,17H2
InChIKeyRBNCHKAEHGVTTA-UHFFFAOYSA-N
XLogP2.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-1H-inden-5-yl-(3-iodophenyl)methanol
CID 61088523
2,3-dihydro-1H-inden-5-yl-(4-fluorophenyl)methanol
CID 61100715
2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol
CID 61101012
2,3-dihydro-1H-inden-5-yl-(3-propoxyphenyl)methanol
CID 62919178
2,3-dihydro-1H-inden-5-yl(1H-pyrrol-3-yl)methanol
CID 63749815
2,3-dihydro-1H-inden-5-yl-(4-methylsulfanylphenyl)methanol
CID 79217216
(3-aminophenyl)-(4-propan-2-ylphenyl)methanol
CID 91678371
(3-bromo-4-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 81476719
(1S)-2-amino-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 83001263
2,3-dihydro-1H-inden-5-ylmethanediamine
CID 116939135
(2-bromo-3-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 107983332
1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 61087028

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(2,3-dihydro-1H-inden-5-yl)methanol?
The IUPAC name of (3-aminophenyl)-(2,3-dihydro-1H-inden-5-yl)methanol (CID 114194374) is (3-aminophenyl)-(2,3-dihydro-1H-inden-5-yl)methanol.
What is the SMILES notation for (3-aminophenyl)-(2,3-dihydro-1H-inden-5-yl)methanol?
The canonical SMILES for (3-aminophenyl)-(2,3-dihydro-1H-inden-5-yl)methanol is Nc1cccc(C(O)c2ccc3c(c2)CCC3)c1.
What is the InChIKey of (3-aminophenyl)-(2,3-dihydro-1H-inden-5-yl)methanol?
The InChIKey is RBNCHKAEHGVTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c17-15-6-2-5-13(10-15)16(18)14-8-7-11-3-1-4-12(11)9-14/h2,5-10,16,18H,1,3-4,17H2.
What are the key properties of (3-aminophenyl)-(2,3-dihydro-1H-inden-5-yl)methanol?
(3-aminophenyl)-(2,3-dihydro-1H-inden-5-yl)methanol has a molecular weight of 239.32 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(2,3-dihydro-1H-inden-5-yl)methanol is sourced from PubChem (CID 114194374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).