2-chloro-3-[(1H-indol-4-ylmethylamino)methyl]phenol

C16H15ClN2O — CID 167760392

IUPAC2-chloro-3-[(1H-indol-4-ylmethylamino)methyl]phenol
SMILESOc1cccc(CNCc2cccc3[nH]ccc23)c1Cl
InChIInChI=1S/C16H15ClN2O/c17-16-12(4-2-6-15(16)20)10-18-9-11-3-1-5-14-13(11)7-8-19-14/h1-8,18-20H,9-10H2
InChIKeySGALVTMKVHZRIH-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.82
Rot. Bonds4

About 2-chloro-3-[(1H-indol-4-ylmethylamino)methyl]phenol

2-chloro-3-[(1H-indol-4-ylmethylamino)methyl]phenol (PubChem CID 167760392) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-chloro-3-[(1H-indol-4-ylmethylamino)methyl]phenol.

Molecular Properties

Compound Name2-chloro-3-[(1H-indol-4-ylmethylamino)methyl]phenol
PubChem CID167760392
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name2-chloro-3-[(1H-indol-4-ylmethylamino)methyl]phenol
SMILESOc1cccc(CNCc2cccc3[nH]ccc23)c1Cl
InChIInChI=1S/C16H15ClN2O/c17-16-12(4-2-6-15(16)20)10-18-9-11-3-1-5-14-13(11)7-8-19-14/h1-8,18-20H,9-10H2
InChIKeySGALVTMKVHZRIH-UHFFFAOYSA-N
XLogP3.82
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indol-4-ylmethylamino)ethanol
CID 53269747
N-(1H-indol-4-ylmethyl)-1-pyridin-4-ylmethanamine
CID 17221052
2,6-dichloro-4-(1H-indol-4-ylmethylamino)phenol
CID 107679377
N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-4-yl)methanamine
CID 103292073
4-[(1H-indol-4-ylmethylamino)methyl]cyclohexan-1-ol
CID 106125391
1-[(1H-indol-4-ylmethylamino)methyl]cyclobutan-1-ol
CID 111114552
1H-indol-4-ol
CID 102220556
2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 17221038
1-(1H-indol-4-ylmethylamino)-4-methylpentan-2-ol
CID 110928680
N,N-diethyl-4-[(1H-indol-4-ylmethylamino)methyl]benzamide
CID 119109918
1-(1H-indol-4-ylmethylamino)-2,3-dimethylbutan-2-ol
CID 111118493

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(1H-indol-4-ylmethylamino)methyl]phenol?
The IUPAC name of 2-chloro-3-[(1H-indol-4-ylmethylamino)methyl]phenol (CID 167760392) is 2-chloro-3-[(1H-indol-4-ylmethylamino)methyl]phenol.
What is the SMILES notation for 2-chloro-3-[(1H-indol-4-ylmethylamino)methyl]phenol?
The canonical SMILES for 2-chloro-3-[(1H-indol-4-ylmethylamino)methyl]phenol is Oc1cccc(CNCc2cccc3[nH]ccc23)c1Cl.
What is the InChIKey of 2-chloro-3-[(1H-indol-4-ylmethylamino)methyl]phenol?
The InChIKey is SGALVTMKVHZRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-16-12(4-2-6-15(16)20)10-18-9-11-3-1-5-14-13(11)7-8-19-14/h1-8,18-20H,9-10H2.
What are the key properties of 2-chloro-3-[(1H-indol-4-ylmethylamino)methyl]phenol?
2-chloro-3-[(1H-indol-4-ylmethylamino)methyl]phenol has a molecular weight of 286.76 g/mol, XLogP of 3.82, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(1H-indol-4-ylmethylamino)methyl]phenol is sourced from PubChem (CID 167760392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).