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

C18H20N2 — CID 107234543

IUPACN-[(1,3-dimethylindol-2-yl)methyl]-1-phenylmethanamine
SMILESCc1c(CNCc2ccccc2)n(C)c2ccccc12
InChIInChI=1S/C18H20N2/c1-14-16-10-6-7-11-17(16)20(2)18(14)13-19-12-15-8-4-3-5-9-15/h3-11,19H,12-13H2,1-2H3
InChIKeyZLFCDCHZVMBSHV-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.78
Rot. Bonds4

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

N-[(1,3-dimethylindol-2-yl)methyl]-1-phenylmethanamine (PubChem CID 107234543) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(1,3-dimethylindol-2-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylindol-2-yl)methyl]-1-phenylmethanamine
PubChem CID107234543
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC NameN-[(1,3-dimethylindol-2-yl)methyl]-1-phenylmethanamine
SMILESCc1c(CNCc2ccccc2)n(C)c2ccccc12
InChIInChI=1S/C18H20N2/c1-14-16-10-6-7-11-17(16)20(2)18(14)13-19-12-15-8-4-3-5-9-15/h3-11,19H,12-13H2,1-2H3
InChIKeyZLFCDCHZVMBSHV-UHFFFAOYSA-N
XLogP3.78
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.78
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-pyridin-4-ylmethanamine
CID 107234763
1-(4-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine
CID 107234683
1-(3-bromophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine
CID 107235482
1-(2-chlorophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine
CID 107234583
N-[(1,3-dimethylindol-2-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 107235601
N-[(1,3-dimethylindol-2-yl)methyl]-2,2-dimethylbutan-1-amine
CID 107236351
N-[(1,3-dimethylindol-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine
CID 107235688
N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine
CID 107236118
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
2,2-dicyclopropyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine
CID 107235840
1-(1,3-dimethylindol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 107235680

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylindol-2-yl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(1,3-dimethylindol-2-yl)methyl]-1-phenylmethanamine (CID 107234543) is N-[(1,3-dimethylindol-2-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(1,3-dimethylindol-2-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(1,3-dimethylindol-2-yl)methyl]-1-phenylmethanamine is Cc1c(CNCc2ccccc2)n(C)c2ccccc12.
What is the InChIKey of N-[(1,3-dimethylindol-2-yl)methyl]-1-phenylmethanamine?
The InChIKey is ZLFCDCHZVMBSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-14-16-10-6-7-11-17(16)20(2)18(14)13-19-12-15-8-4-3-5-9-15/h3-11,19H,12-13H2,1-2H3.
What are the key properties of N-[(1,3-dimethylindol-2-yl)methyl]-1-phenylmethanamine?
N-[(1,3-dimethylindol-2-yl)methyl]-1-phenylmethanamine has a molecular weight of 264.37 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylindol-2-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 107234543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).