2-methyl-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine

C18H21N3 — CID 59493253

IUPAC2-methyl-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine
SMILESCc1cc(N)ccc1NCCc1c[nH]c2c(C)cccc12
InChIInChI=1S/C18H21N3/c1-12-4-3-5-16-14(11-21-18(12)16)8-9-20-17-7-6-15(19)10-13(17)2/h3-7,10-11,20-21H,8-9,19H2,1-2H3
InChIKeyPPVPCEUPLSLFRG-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.02
Rot. Bonds4

About 2-methyl-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine

2-methyl-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine (PubChem CID 59493253) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-methyl-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-methyl-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine
PubChem CID59493253
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name2-methyl-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine
SMILESCc1cc(N)ccc1NCCc1c[nH]c2c(C)cccc12
InChIInChI=1S/C18H21N3/c1-12-4-3-5-16-14(11-21-18(12)16)8-9-20-17-7-6-15(19)10-13(17)2/h3-7,10-11,20-21H,8-9,19H2,1-2H3
InChIKeyPPVPCEUPLSLFRG-UHFFFAOYSA-N
XLogP4.02
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethane;2-methyl-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine
CID 143759213
2-methyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]aniline
CID 143759207
1-[3-[2-(4-amino-2-methylanilino)ethyl]-1H-indol-7-yl]-2-methylpropan-1-ol
CID 58533603
2-(7-methyl-1H-indol-3-yl)ethanamine chloride
CID 53351005
1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-methylbenzene-1,4-diamine
CID 143202760
2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 24802312
2-chloro-1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-5-methyl-4-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine
CID 143779151
1-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-propylguanidine;hydroiodide
CID 111808945
1-methyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971198
7-methyl-3-(2-phenylethyl)-1H-indole
CID 174735389
2-(7-methyl-1H-indol-3-yl)ethyl-propan-2-ylazanium
CID 170598949
2-iodo-1-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
CID 79763208

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine?
The IUPAC name of 2-methyl-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine (CID 59493253) is 2-methyl-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 2-methyl-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine?
The canonical SMILES for 2-methyl-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine is Cc1cc(N)ccc1NCCc1c[nH]c2c(C)cccc12.
What is the InChIKey of 2-methyl-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine?
The InChIKey is PPVPCEUPLSLFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-12-4-3-5-16-14(11-21-18(12)16)8-9-20-17-7-6-15(19)10-13(17)2/h3-7,10-11,20-21H,8-9,19H2,1-2H3.
What are the key properties of 2-methyl-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine?
2-methyl-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine has a molecular weight of 279.39 g/mol, XLogP of 4.02, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 59493253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).