[4-[(6-aminoindol-1-yl)methyl]phenyl]methanol;hydrochloride

C16H17ClN2O — CID 126796353

IUPAC[4-[(6-aminoindol-1-yl)methyl]phenyl]methanol;hydrochloride
SMILESCl.Nc1ccc2ccn(Cc3ccc(CO)cc3)c2c1
InChIInChI=1S/C16H16N2O.ClH/c17-15-6-5-14-7-8-18(16(14)9-15)10-12-1-3-13(11-19)4-2-12;/h1-9,19H,10-11,17H2;1H
InChIKeyGSBVRAFQPAKURN-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.19
Rot. Bonds3

About [4-[(6-aminoindol-1-yl)methyl]phenyl]methanol;hydrochloride

[4-[(6-aminoindol-1-yl)methyl]phenyl]methanol;hydrochloride (PubChem CID 126796353) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is [4-[(6-aminoindol-1-yl)methyl]phenyl]methanol;hydrochloride.

Molecular Properties

Compound Name[4-[(6-aminoindol-1-yl)methyl]phenyl]methanol;hydrochloride
PubChem CID126796353
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name[4-[(6-aminoindol-1-yl)methyl]phenyl]methanol;hydrochloride
SMILESCl.Nc1ccc2ccn(Cc3ccc(CO)cc3)c2c1
InChIInChI=1S/C16H16N2O.ClH/c17-15-6-5-14-7-8-18(16(14)9-15)10-12-1-3-13(11-19)4-2-12;/h1-9,19H,10-11,17H2;1H
InChIKeyGSBVRAFQPAKURN-UHFFFAOYSA-N
XLogP3.19
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzylindol-6-amine
CID 69325204
4-[[6-(hydroxymethyl)indol-1-yl]methyl]phenol
CID 102913078
[1-[(4-methylphenyl)methyl]indol-6-yl]methanol
CID 28886893
[4-[(6-nitroindol-1-yl)methyl]phenyl]methanol
CID 116621083
5-[(6-aminoindol-1-yl)methyl]-2-fluorobenzonitrile
CID 107880798
1-[(3-fluoro-4-methoxyphenyl)methyl]indol-6-amine
CID 43308823
[1-(cyclopropylmethyl)indol-6-yl]methanol
CID 28958289
1-[(2-chloro-4-methylphenyl)methyl]indol-6-amine
CID 106863378
[1-[(5-chloro-2-fluorophenyl)methyl]indol-6-yl]methanol
CID 103047381
1-(thiophen-2-ylmethyl)indol-6-amine
CID 43308863
1-[(2-fluorophenyl)methyl]indol-6-amine
CID 43308904
1-(methoxymethyl)indol-6-amine
CID 65365107

Frequently Asked Questions

What is the IUPAC name of [4-[(6-aminoindol-1-yl)methyl]phenyl]methanol;hydrochloride?
The IUPAC name of [4-[(6-aminoindol-1-yl)methyl]phenyl]methanol;hydrochloride (CID 126796353) is [4-[(6-aminoindol-1-yl)methyl]phenyl]methanol;hydrochloride.
What is the SMILES notation for [4-[(6-aminoindol-1-yl)methyl]phenyl]methanol;hydrochloride?
The canonical SMILES for [4-[(6-aminoindol-1-yl)methyl]phenyl]methanol;hydrochloride is Cl.Nc1ccc2ccn(Cc3ccc(CO)cc3)c2c1.
What is the InChIKey of [4-[(6-aminoindol-1-yl)methyl]phenyl]methanol;hydrochloride?
The InChIKey is GSBVRAFQPAKURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O.ClH/c17-15-6-5-14-7-8-18(16(14)9-15)10-12-1-3-13(11-19)4-2-12;/h1-9,19H,10-11,17H2;1H.
What are the key properties of [4-[(6-aminoindol-1-yl)methyl]phenyl]methanol;hydrochloride?
[4-[(6-aminoindol-1-yl)methyl]phenyl]methanol;hydrochloride has a molecular weight of 288.78 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-aminoindol-1-yl)methyl]phenyl]methanol;hydrochloride is sourced from PubChem (CID 126796353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).