N,N-dimethyl-4-[(Z)-(2-methylindol-3-ylidene)methyl]aniline

C18H18N2 — CID 53315530

IUPACN,N-dimethyl-4-[(Z)-(2-methylindol-3-ylidene)methyl]aniline
SMILESCC1=Nc2ccccc2/C1=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C18H18N2/c1-13-17(16-6-4-5-7-18(16)19-13)12-14-8-10-15(11-9-14)20(2)3/h4-12H,1-3H3/b17-12+
InChIKeyBVGILCYCGXDIPL-SFQUDFHCSA-N
MW262.36 g/mol
LogP4.40
Rot. Bonds2

About N,N-dimethyl-4-[(Z)-(2-methylindol-3-ylidene)methyl]aniline

N,N-dimethyl-4-[(Z)-(2-methylindol-3-ylidene)methyl]aniline (PubChem CID 53315530) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is N,N-dimethyl-4-[(Z)-(2-methylindol-3-ylidene)methyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(Z)-(2-methylindol-3-ylidene)methyl]aniline
PubChem CID53315530
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC NameN,N-dimethyl-4-[(Z)-(2-methylindol-3-ylidene)methyl]aniline
SMILESCC1=Nc2ccccc2/C1=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C18H18N2/c1-13-17(16-6-4-5-7-18(16)19-13)12-14-8-10-15(11-9-14)20(2)3/h4-12H,1-3H3/b17-12+
InChIKeyBVGILCYCGXDIPL-SFQUDFHCSA-N
XLogP4.40
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(Z)-(2-methylindol-3-ylidene)methyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(Z)-(2-methylindol-3-ylidene)methyl]aniline (CID 53315530) is N,N-dimethyl-4-[(Z)-(2-methylindol-3-ylidene)methyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(Z)-(2-methylindol-3-ylidene)methyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(Z)-(2-methylindol-3-ylidene)methyl]aniline is CC1=Nc2ccccc2/C1=C/c1ccc(N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[(Z)-(2-methylindol-3-ylidene)methyl]aniline?
The InChIKey is BVGILCYCGXDIPL-SFQUDFHCSA-N. The full InChI is InChI=1S/C18H18N2/c1-13-17(16-6-4-5-7-18(16)19-13)12-14-8-10-15(11-9-14)20(2)3/h4-12H,1-3H3/b17-12+.
What are the key properties of N,N-dimethyl-4-[(Z)-(2-methylindol-3-ylidene)methyl]aniline?
N,N-dimethyl-4-[(Z)-(2-methylindol-3-ylidene)methyl]aniline has a molecular weight of 262.36 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(Z)-(2-methylindol-3-ylidene)methyl]aniline is sourced from PubChem (CID 53315530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).