2-chloro-4-(1H-indol-5-ylmethylamino)phenol

C15H13ClN2O — CID 107678050

IUPAC2-chloro-4-(1H-indol-5-ylmethylamino)phenol
SMILESOc1ccc(NCc2ccc3[nH]ccc3c2)cc1Cl
InChIInChI=1S/C15H13ClN2O/c16-13-8-12(2-4-15(13)19)18-9-10-1-3-14-11(7-10)5-6-17-14/h1-8,17-19H,9H2
InChIKeyFKCIHEMPGJOKRZ-UHFFFAOYSA-N
MW272.74 g/mol
LogP4.14
Rot. Bonds3

About 2-chloro-4-(1H-indol-5-ylmethylamino)phenol

2-chloro-4-(1H-indol-5-ylmethylamino)phenol (PubChem CID 107678050) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-chloro-4-(1H-indol-5-ylmethylamino)phenol.

Molecular Properties

Compound Name2-chloro-4-(1H-indol-5-ylmethylamino)phenol
PubChem CID107678050
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name2-chloro-4-(1H-indol-5-ylmethylamino)phenol
SMILESOc1ccc(NCc2ccc3[nH]ccc3c2)cc1Cl
InChIInChI=1S/C15H13ClN2O/c16-13-8-12(2-4-15(13)19)18-9-10-1-3-14-11(7-10)5-6-17-14/h1-8,17-19H,9H2
InChIKeyFKCIHEMPGJOKRZ-UHFFFAOYSA-N
XLogP4.14
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-chloro-N-(1H-indol-5-ylmethyl)aniline
CID 107619194
2-chloro-5-(1H-indol-5-ylmethylamino)benzamide
CID 102909673
3-chloro-N-(1H-indol-5-ylmethyl)-4-methoxyaniline
CID 102909165
4-chloro-3-fluoro-N-(1H-indol-5-ylmethyl)aniline;hydrochloride
CID 17221843
2-bromo-4-[(3-chloro-4-hydroxyanilino)methyl]phenol
CID 107677992
4-bromo-3-chloro-N-(1H-indol-6-ylmethyl)aniline
CID 107619291
4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline
CID 102910801
N-(1H-indol-5-ylmethyl)quinoxalin-6-amine
CID 102910076
2-chloro-4-[(4-chloro-3-fluorophenyl)methylamino]phenol
CID 107678415
N-[(4-ethylphenyl)methyl]-1H-indol-5-amine
CID 28546654
4-[(3-bromo-4-chlorophenyl)methylamino]-2-chlorophenol
CID 107678809
N-[(4-methylphenyl)methyl]-1H-indol-5-amine
CID 28662234

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1H-indol-5-ylmethylamino)phenol?
The IUPAC name of 2-chloro-4-(1H-indol-5-ylmethylamino)phenol (CID 107678050) is 2-chloro-4-(1H-indol-5-ylmethylamino)phenol.
What is the SMILES notation for 2-chloro-4-(1H-indol-5-ylmethylamino)phenol?
The canonical SMILES for 2-chloro-4-(1H-indol-5-ylmethylamino)phenol is Oc1ccc(NCc2ccc3[nH]ccc3c2)cc1Cl.
What is the InChIKey of 2-chloro-4-(1H-indol-5-ylmethylamino)phenol?
The InChIKey is FKCIHEMPGJOKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-13-8-12(2-4-15(13)19)18-9-10-1-3-14-11(7-10)5-6-17-14/h1-8,17-19H,9H2.
What are the key properties of 2-chloro-4-(1H-indol-5-ylmethylamino)phenol?
2-chloro-4-(1H-indol-5-ylmethylamino)phenol has a molecular weight of 272.74 g/mol, XLogP of 4.14, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1H-indol-5-ylmethylamino)phenol is sourced from PubChem (CID 107678050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).