N-[(6-chloro-1H-indol-3-yl)methyl]-2-methoxypropan-1-amine

C13H17ClN2O — CID 102695801

IUPACN-[(6-chloro-1H-indol-3-yl)methyl]-2-methoxypropan-1-amine
SMILESCOC(C)CNCc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C13H17ClN2O/c1-9(17-2)6-15-7-10-8-16-13-5-11(14)3-4-12(10)13/h3-5,8-9,15-16H,6-7H2,1-2H3
InChIKeyOQLKHVJOYAVTQG-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.95
Rot. Bonds5

About N-[(6-chloro-1H-indol-3-yl)methyl]-2-methoxypropan-1-amine

N-[(6-chloro-1H-indol-3-yl)methyl]-2-methoxypropan-1-amine (PubChem CID 102695801) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is N-[(6-chloro-1H-indol-3-yl)methyl]-2-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[(6-chloro-1H-indol-3-yl)methyl]-2-methoxypropan-1-amine
PubChem CID102695801
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC NameN-[(6-chloro-1H-indol-3-yl)methyl]-2-methoxypropan-1-amine
SMILESCOC(C)CNCc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C13H17ClN2O/c1-9(17-2)6-15-7-10-8-16-13-5-11(14)3-4-12(10)13/h3-5,8-9,15-16H,6-7H2,1-2H3
InChIKeyOQLKHVJOYAVTQG-UHFFFAOYSA-N
XLogP2.95
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(6-chloro-1H-indol-3-yl)methylamino]-2-methylpropan-1-ol
CID 78971605
N-[(6-chloro-1H-indol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 78974959
N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114940997
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
2-[(6-chloro-1H-indol-3-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 115590337
N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylpentan-3-amine
CID 106328237
N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyridin-4-ylethanamine
CID 78968571
N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylaniline
CID 78968568
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

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-indol-3-yl)methyl]-2-methoxypropan-1-amine?
The IUPAC name of N-[(6-chloro-1H-indol-3-yl)methyl]-2-methoxypropan-1-amine (CID 102695801) is N-[(6-chloro-1H-indol-3-yl)methyl]-2-methoxypropan-1-amine.
What is the SMILES notation for N-[(6-chloro-1H-indol-3-yl)methyl]-2-methoxypropan-1-amine?
The canonical SMILES for N-[(6-chloro-1H-indol-3-yl)methyl]-2-methoxypropan-1-amine is COC(C)CNCc1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of N-[(6-chloro-1H-indol-3-yl)methyl]-2-methoxypropan-1-amine?
The InChIKey is OQLKHVJOYAVTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9(17-2)6-15-7-10-8-16-13-5-11(14)3-4-12(10)13/h3-5,8-9,15-16H,6-7H2,1-2H3.
What are the key properties of N-[(6-chloro-1H-indol-3-yl)methyl]-2-methoxypropan-1-amine?
N-[(6-chloro-1H-indol-3-yl)methyl]-2-methoxypropan-1-amine has a molecular weight of 252.75 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-indol-3-yl)methyl]-2-methoxypropan-1-amine is sourced from PubChem (CID 102695801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).