1-[6-[(2-chloro-6-methoxy-3-pyridinyl)methyl]-1H-indol-3-yl]-N-methylmethanamine

C17H18ClN3O — CID 134357262

IUPAC1-[6-[(2-chloro-6-methoxy-3-pyridinyl)methyl]-1H-indol-3-yl]-N-methylmethanamine
SMILESCNCc1c[nH]c2cc(Cc3ccc(OC)nc3Cl)ccc12
InChIInChI=1S/C17H18ClN3O/c1-19-9-13-10-20-15-8-11(3-5-14(13)15)7-12-4-6-16(22-2)21-17(12)18/h3-6,8,10,19-20H,7,9H2,1-2H3
InChIKeyYQAATCAFASYSGI-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.54
Rot. Bonds5

About 1-[6-[(2-chloro-6-methoxy-3-pyridinyl)methyl]-1H-indol-3-yl]-N-methylmethanamine

1-[6-[(2-chloro-6-methoxy-3-pyridinyl)methyl]-1H-indol-3-yl]-N-methylmethanamine (PubChem CID 134357262) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is 1-[6-[(2-chloro-6-methoxy-3-pyridinyl)methyl]-1H-indol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-[(2-chloro-6-methoxy-3-pyridinyl)methyl]-1H-indol-3-yl]-N-methylmethanamine
PubChem CID134357262
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name1-[6-[(2-chloro-6-methoxy-3-pyridinyl)methyl]-1H-indol-3-yl]-N-methylmethanamine
SMILESCNCc1c[nH]c2cc(Cc3ccc(OC)nc3Cl)ccc12
InChIInChI=1S/C17H18ClN3O/c1-19-9-13-10-20-15-8-11(3-5-14(13)15)7-12-4-6-16(22-2)21-17(12)18/h3-6,8,10,19-20H,7,9H2,1-2H3
InChIKeyYQAATCAFASYSGI-UHFFFAOYSA-N
XLogP3.54
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[6-[(2,3-difluoro-4-methylphenyl)methyl]-1H-indol-3-yl]-N-methylmethanamine
CID 134357248
[3-(methylaminomethyl)-1H-indol-6-yl]methanamine
CID 117178238
1-[6-[(2-chloro-6-methoxy-3-pyridinyl)methyl]-1-(3-chlorophenyl)sulfanylindol-3-yl]-N-methylmethanamine
CID 134357424
N-methyl-1-(6-methyl-1H-indol-3-yl)methanamine
CID 68579797
N-(6-methoxy-2-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol
CID 144821388
1-[6-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]-N-methylmethanamine;pyridine-3-thiol
CID 144821384
1-[6-(3-chlorophenyl)-1H-indol-3-yl]-N-methylmethanamine
CID 134357369
1-(5-ethyl-1H-indol-3-yl)-N-methylmethanamine
CID 82490825
N-methyl-1-(3-methyl-1H-indol-6-yl)methanamine
CID 117205001
N-[(4-chlorophenyl)methyl]-2-(6-methoxy-1H-indol-3-yl)ethanamine
CID 17053018
1-(2,6-dichloro-3-pyridinyl)-N-methylmethanamine
CID 22450421
1-[4-chloro-2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 67018370

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2-chloro-6-methoxy-3-pyridinyl)methyl]-1H-indol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-[(2-chloro-6-methoxy-3-pyridinyl)methyl]-1H-indol-3-yl]-N-methylmethanamine (CID 134357262) is 1-[6-[(2-chloro-6-methoxy-3-pyridinyl)methyl]-1H-indol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-[(2-chloro-6-methoxy-3-pyridinyl)methyl]-1H-indol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-[(2-chloro-6-methoxy-3-pyridinyl)methyl]-1H-indol-3-yl]-N-methylmethanamine is CNCc1c[nH]c2cc(Cc3ccc(OC)nc3Cl)ccc12.
What is the InChIKey of 1-[6-[(2-chloro-6-methoxy-3-pyridinyl)methyl]-1H-indol-3-yl]-N-methylmethanamine?
The InChIKey is YQAATCAFASYSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c1-19-9-13-10-20-15-8-11(3-5-14(13)15)7-12-4-6-16(22-2)21-17(12)18/h3-6,8,10,19-20H,7,9H2,1-2H3.
What are the key properties of 1-[6-[(2-chloro-6-methoxy-3-pyridinyl)methyl]-1H-indol-3-yl]-N-methylmethanamine?
1-[6-[(2-chloro-6-methoxy-3-pyridinyl)methyl]-1H-indol-3-yl]-N-methylmethanamine has a molecular weight of 315.80 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2-chloro-6-methoxy-3-pyridinyl)methyl]-1H-indol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 134357262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).