4-[[(1-methylindol-3-yl)methylamino]methyl]aniline

C17H19N3 — CID 115212478

IUPAC4-[[(1-methylindol-3-yl)methylamino]methyl]aniline
SMILESCn1cc(CNCc2ccc(N)cc2)c2ccccc21
InChIInChI=1S/C17H19N3/c1-20-12-14(16-4-2-3-5-17(16)20)11-19-10-13-6-8-15(18)9-7-13/h2-9,12,19H,10-11,18H2,1H3
InChIKeyNUNMQVBXXCGXJD-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.05
Rot. Bonds4

About 4-[[(1-methylindol-3-yl)methylamino]methyl]aniline

4-[[(1-methylindol-3-yl)methylamino]methyl]aniline (PubChem CID 115212478) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[[(1-methylindol-3-yl)methylamino]methyl]aniline.

Molecular Properties

Compound Name4-[[(1-methylindol-3-yl)methylamino]methyl]aniline
PubChem CID115212478
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name4-[[(1-methylindol-3-yl)methylamino]methyl]aniline
SMILESCn1cc(CNCc2ccc(N)cc2)c2ccccc21
InChIInChI=1S/C17H19N3/c1-20-12-14(16-4-2-3-5-17(16)20)11-19-10-13-6-8-15(18)9-7-13/h2-9,12,19H,10-11,18H2,1H3
InChIKeyNUNMQVBXXCGXJD-UHFFFAOYSA-N
XLogP3.05
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
5-[[(1-methylindol-3-yl)methylamino]methyl]pyrimidine-2,4-diamine
CID 166321610
1-(1-methylindol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine
CID 107235921
2-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
CID 107236321
1-amino-3-[(1-methylindol-3-yl)methylamino]propan-2-ol
CID 115121377
N-[(1-methylindol-3-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine
CID 107236288
2-N,2-dimethyl-1-N-[(1-methylindol-3-yl)methyl]propane-1,2-diamine
CID 115222251
2-chloro-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
CID 107236179
1-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]methanamine
CID 119027513
N'-[(1-methylindol-3-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252487
3-[(1-methylindol-3-yl)methylamino]propane-1-sulfonamide
CID 107235566
6-[(1-methylindol-3-yl)methylamino]hexan-1-ol
CID 107849119

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-methylindol-3-yl)methylamino]methyl]aniline?
The IUPAC name of 4-[[(1-methylindol-3-yl)methylamino]methyl]aniline (CID 115212478) is 4-[[(1-methylindol-3-yl)methylamino]methyl]aniline.
What is the SMILES notation for 4-[[(1-methylindol-3-yl)methylamino]methyl]aniline?
The canonical SMILES for 4-[[(1-methylindol-3-yl)methylamino]methyl]aniline is Cn1cc(CNCc2ccc(N)cc2)c2ccccc21.
What is the InChIKey of 4-[[(1-methylindol-3-yl)methylamino]methyl]aniline?
The InChIKey is NUNMQVBXXCGXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-20-12-14(16-4-2-3-5-17(16)20)11-19-10-13-6-8-15(18)9-7-13/h2-9,12,19H,10-11,18H2,1H3.
What are the key properties of 4-[[(1-methylindol-3-yl)methylamino]methyl]aniline?
4-[[(1-methylindol-3-yl)methylamino]methyl]aniline has a molecular weight of 265.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-methylindol-3-yl)methylamino]methyl]aniline is sourced from PubChem (CID 115212478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).