[4-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol

C17H20N2O — CID 107230271

IUPAC[4-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol
SMILESNc1ccc2c(c1)CCC2NCc1ccc(CO)cc1
InChIInChI=1S/C17H20N2O/c18-15-6-7-16-14(9-15)5-8-17(16)19-10-12-1-3-13(11-20)4-2-12/h1-4,6-7,9,17,19-20H,5,8,10-11,18H2
InChIKeyCPCUWKZPYFXFAL-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.54
Rot. Bonds4

About [4-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol

[4-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol (PubChem CID 107230271) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is [4-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol
PubChem CID107230271
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name[4-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol
SMILESNc1ccc2c(c1)CCC2NCc1ccc(CO)cc1
InChIInChI=1S/C17H20N2O/c18-15-6-7-16-14(9-15)5-8-17(16)19-10-12-1-3-13(11-20)4-2-12/h1-4,6-7,9,17,19-20H,5,8,10-11,18H2
InChIKeyCPCUWKZPYFXFAL-UHFFFAOYSA-N
XLogP2.54
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol (CID 107230271) is [4-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol is Nc1ccc2c(c1)CCC2NCc1ccc(CO)cc1.
What is the InChIKey of [4-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol?
The InChIKey is CPCUWKZPYFXFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c18-15-6-7-16-14(9-15)5-8-17(16)19-10-12-1-3-13(11-20)4-2-12/h1-4,6-7,9,17,19-20H,5,8,10-11,18H2.
What are the key properties of [4-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol?
[4-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol has a molecular weight of 268.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 107230271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).