4-[1H-indol-3-yl(naphthalen-1-yl)methyl]-N-methylaniline

C26H22N2 — CID 134960683

IUPAC4-[1H-indol-3-yl(naphthalen-1-yl)methyl]-N-methylaniline
SMILESCNc1ccc(C(c2cccc3ccccc23)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C26H22N2/c1-27-20-15-13-19(14-16-20)26(24-17-28-25-12-5-4-10-22(24)25)23-11-6-8-18-7-2-3-9-21(18)23/h2-17,26-28H,1H3
InChIKeyAIYQOHRLNREGNL-UHFFFAOYSA-N
MW362.48 g/mol
LogP6.54
Rot. Bonds4

About 4-[1H-indol-3-yl(naphthalen-1-yl)methyl]-N-methylaniline

4-[1H-indol-3-yl(naphthalen-1-yl)methyl]-N-methylaniline (PubChem CID 134960683) has the molecular formula C26H22N2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-[1H-indol-3-yl(naphthalen-1-yl)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-[1H-indol-3-yl(naphthalen-1-yl)methyl]-N-methylaniline
PubChem CID134960683
Molecular FormulaC26H22N2
Molecular Weight362.48 g/mol
Exact Mass362.18
IUPAC Name4-[1H-indol-3-yl(naphthalen-1-yl)methyl]-N-methylaniline
SMILESCNc1ccc(C(c2cccc3ccccc23)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C26H22N2/c1-27-20-15-13-19(14-16-20)26(24-17-28-25-12-5-4-10-22(24)25)23-11-6-8-18-7-2-3-9-21(18)23/h2-17,26-28H,1H3
InChIKeyAIYQOHRLNREGNL-UHFFFAOYSA-N
XLogP6.54
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1,3-benzodioxol-5-yl(1H-indol-3-yl)methyl]-N-methylaniline
CID 134960682
3-[bis(4-methoxyphenyl)methyl]-1H-indole
CID 4102319
3-[amino(1H-indol-3-yl)methyl]-N-methylaniline
CID 116936685
3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole
CID 25098654
3-[1H-indol-3-yl-(4-penta-1,2-dienylphenyl)methyl]-1H-indole
CID 101107224
1-[bis(1H-indol-3-yl)methyl]-2H-isoindole
CID 155935017
2-[1H-indol-3-yl-(4-phenylphenyl)methyl]-1H-indole
CID 86045351
1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine
CID 11322318
1-[phenyl-(4-propan-2-ylphenyl)methyl]naphthalene
CID 140715231
1-chloro-1-(1H-indol-3-yl)-N-methylmethanamine
CID 116962085
3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methyl]-4-methyl-1H-indole;hydrochloride
CID 175089456
3-propan-2-yl-1H-indole
CID 12534824

Frequently Asked Questions

What is the IUPAC name of 4-[1H-indol-3-yl(naphthalen-1-yl)methyl]-N-methylaniline?
The IUPAC name of 4-[1H-indol-3-yl(naphthalen-1-yl)methyl]-N-methylaniline (CID 134960683) is 4-[1H-indol-3-yl(naphthalen-1-yl)methyl]-N-methylaniline.
What is the SMILES notation for 4-[1H-indol-3-yl(naphthalen-1-yl)methyl]-N-methylaniline?
The canonical SMILES for 4-[1H-indol-3-yl(naphthalen-1-yl)methyl]-N-methylaniline is CNc1ccc(C(c2cccc3ccccc23)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 4-[1H-indol-3-yl(naphthalen-1-yl)methyl]-N-methylaniline?
The InChIKey is AIYQOHRLNREGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2/c1-27-20-15-13-19(14-16-20)26(24-17-28-25-12-5-4-10-22(24)25)23-11-6-8-18-7-2-3-9-21(18)23/h2-17,26-28H,1H3.
What are the key properties of 4-[1H-indol-3-yl(naphthalen-1-yl)methyl]-N-methylaniline?
4-[1H-indol-3-yl(naphthalen-1-yl)methyl]-N-methylaniline has a molecular weight of 362.48 g/mol, XLogP of 6.54, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1H-indol-3-yl(naphthalen-1-yl)methyl]-N-methylaniline is sourced from PubChem (CID 134960683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).