1-(2-chlorophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine

C18H19ClN2 — CID 107234583

IUPAC1-(2-chlorophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine
SMILESCc1c(CNCc2ccccc2Cl)n(C)c2ccccc12
InChIInChI=1S/C18H19ClN2/c1-13-15-8-4-6-10-17(15)21(2)18(13)12-20-11-14-7-3-5-9-16(14)19/h3-10,20H,11-12H2,1-2H3
InChIKeyANELVNWFMOMRBP-UHFFFAOYSA-N
MW298.82 g/mol
LogP4.43
Rot. Bonds4

About 1-(2-chlorophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine

1-(2-chlorophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine (PubChem CID 107234583) has the molecular formula C18H19ClN2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine
PubChem CID107234583
Molecular FormulaC18H19ClN2
Molecular Weight298.82 g/mol
Exact Mass298.12
IUPAC Name1-(2-chlorophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine
SMILESCc1c(CNCc2ccccc2Cl)n(C)c2ccccc12
InChIInChI=1S/C18H19ClN2/c1-13-15-8-4-6-10-17(15)21(2)18(13)12-20-11-14-7-3-5-9-16(14)19/h3-10,20H,11-12H2,1-2H3
InChIKeyANELVNWFMOMRBP-UHFFFAOYSA-N
XLogP4.43
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(1,3-dimethylindol-2-yl)methyl]-1-phenylmethanamine
CID 107234543
N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine
CID 107236118
N-[(1,3-dimethylindol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 107234763
N-[(1,3-dimethylindol-2-yl)methyl]-2,2-dimethylbutan-1-amine
CID 107236351
1-(4-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine
CID 107234683
N-[(1,3-dimethylindol-2-yl)methyl]-4-methylpentan-1-amine
CID 107235433
3-[[(1,3-dimethylindol-2-yl)methylamino]methyl]pentan-3-ol
CID 107235809
N-[(1,3-dimethylindol-2-yl)methyl]-3-methylsulfinylpropan-1-amine
CID 107236223
N-[(1,3-dimethylindol-2-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 107235601
N-[(1,3-dimethylindol-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine
CID 107235688
1-(3-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine
CID 107235482
2-[(1,3-dimethylindol-2-yl)methylamino]propane-1,3-diol
CID 107235824

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine (CID 107234583) is 1-(2-chlorophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine is Cc1c(CNCc2ccccc2Cl)n(C)c2ccccc12.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine?
The InChIKey is ANELVNWFMOMRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2/c1-13-15-8-4-6-10-17(15)21(2)18(13)12-20-11-14-7-3-5-9-16(14)19/h3-10,20H,11-12H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine?
1-(2-chlorophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine has a molecular weight of 298.82 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine is sourced from PubChem (CID 107234583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).