N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]-1-pyridin-2-ylmethanamine

C23H23N3 — CID 124799232

IUPACN-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]-1-pyridin-2-ylmethanamine
SMILESCc1cccc(Cn2cc(CNCc3ccccn3)c3ccccc32)c1
InChIInChI=1S/C23H23N3/c1-18-7-6-8-19(13-18)16-26-17-20(22-10-2-3-11-23(22)26)14-24-15-21-9-4-5-12-25-21/h2-13,17,24H,14-16H2,1H3
InChIKeyOEIKTFVCMSEVNE-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.68
Rot. Bonds6

About N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]-1-pyridin-2-ylmethanamine

N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]-1-pyridin-2-ylmethanamine (PubChem CID 124799232) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]-1-pyridin-2-ylmethanamine
PubChem CID124799232
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC NameN-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]-1-pyridin-2-ylmethanamine
SMILESCc1cccc(Cn2cc(CNCc3ccccn3)c3ccccc32)c1
InChIInChI=1S/C23H23N3/c1-18-7-6-8-19(13-18)16-26-17-20(22-10-2-3-11-23(22)26)14-24-15-21-9-4-5-12-25-21/h2-13,17,24H,14-16H2,1H3
InChIKeyOEIKTFVCMSEVNE-UHFFFAOYSA-N
XLogP4.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]prop-2-en-1-amine
CID 119027434
N',N'-diethyl-N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]ethane-1,2-diamine
CID 124794918
2-[3-[(pyridin-2-ylmethylamino)methyl]indol-1-yl]acetic acid
CID 102535957
(2S)-2-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylamino]butan-1-ol
CID 124801826
N-[[1-(pyridin-2-ylmethyl)indol-3-yl]methyl]propan-2-amine
CID 66402503
N-[[1-(2-pyridin-2-ylethyl)indol-3-yl]methyl]ethanamine
CID 66409305
N-[[1-(pyrimidin-2-ylmethyl)indol-3-yl]methyl]ethanamine
CID 66409737
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-(4-methylphenyl)methanamine
CID 124816345
[1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66416443
N-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboxamide
CID 126004518
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-phenylmethanamine
CID 124895180
N-[(1-benzylindol-3-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 124818287

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]-1-pyridin-2-ylmethanamine (CID 124799232) is N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]-1-pyridin-2-ylmethanamine is Cc1cccc(Cn2cc(CNCc3ccccn3)c3ccccc32)c1.
What is the InChIKey of N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is OEIKTFVCMSEVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3/c1-18-7-6-8-19(13-18)16-26-17-20(22-10-2-3-11-23(22)26)14-24-15-21-9-4-5-12-25-21/h2-13,17,24H,14-16H2,1H3.
What are the key properties of N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]-1-pyridin-2-ylmethanamine?
N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 341.46 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 124799232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).