3-[(6-chloro-1H-indol-3-yl)methylamino]-2-methylpropan-1-ol

C13H17ClN2O — CID 78971605

IUPAC3-[(6-chloro-1H-indol-3-yl)methylamino]-2-methylpropan-1-ol
SMILESCC(CO)CNCc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C13H17ClN2O/c1-9(8-17)5-15-6-10-7-16-13-4-11(14)2-3-12(10)13/h2-4,7,9,15-17H,5-6,8H2,1H3
InChIKeyCYASZARYQNNMQV-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.54
Rot. Bonds5

About 3-[(6-chloro-1H-indol-3-yl)methylamino]-2-methylpropan-1-ol

3-[(6-chloro-1H-indol-3-yl)methylamino]-2-methylpropan-1-ol (PubChem CID 78971605) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is 3-[(6-chloro-1H-indol-3-yl)methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(6-chloro-1H-indol-3-yl)methylamino]-2-methylpropan-1-ol
PubChem CID78971605
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name3-[(6-chloro-1H-indol-3-yl)methylamino]-2-methylpropan-1-ol
SMILESCC(CO)CNCc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C13H17ClN2O/c1-9(8-17)5-15-6-10-7-16-13-4-11(14)2-3-12(10)13/h2-4,7,9,15-17H,5-6,8H2,1H3
InChIKeyCYASZARYQNNMQV-UHFFFAOYSA-N
XLogP2.54
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(6-chloro-1H-indol-3-yl)methyl]-2-methoxypropan-1-amine
CID 102695801
3-[[(6-chloro-1H-indol-3-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 106100191
N-[(6-chloro-1H-indol-3-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 113487350
N-[(6-chloro-1H-indol-3-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 78968570
3-(bromomethyl)-6-chloro-1H-indole
CID 131288743
N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylpentan-3-amine
CID 106328237
N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114940997
N-[(6-chloro-1H-indol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 78974959
N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyridin-4-ylethanamine
CID 78968571
N-[(6-chloro-1H-indol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 78968532
2-[(6-chloro-1H-indol-3-yl)methylamino]-N,N-dimethylethanesulfonamide
CID 106335391
2-[(6-chloro-1H-indol-3-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 115590337

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-1H-indol-3-yl)methylamino]-2-methylpropan-1-ol?
The IUPAC name of 3-[(6-chloro-1H-indol-3-yl)methylamino]-2-methylpropan-1-ol (CID 78971605) is 3-[(6-chloro-1H-indol-3-yl)methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(6-chloro-1H-indol-3-yl)methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(6-chloro-1H-indol-3-yl)methylamino]-2-methylpropan-1-ol is CC(CO)CNCc1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 3-[(6-chloro-1H-indol-3-yl)methylamino]-2-methylpropan-1-ol?
The InChIKey is CYASZARYQNNMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9(8-17)5-15-6-10-7-16-13-4-11(14)2-3-12(10)13/h2-4,7,9,15-17H,5-6,8H2,1H3.
What are the key properties of 3-[(6-chloro-1H-indol-3-yl)methylamino]-2-methylpropan-1-ol?
3-[(6-chloro-1H-indol-3-yl)methylamino]-2-methylpropan-1-ol has a molecular weight of 252.75 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-1H-indol-3-yl)methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 78971605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).