N,N-dimethyl-4-[(1-methylindol-3-yl)-phenylmethyl]aniline

C24H24N2 — CID 86230420

IUPACN,N-dimethyl-4-[(1-methylindol-3-yl)-phenylmethyl]aniline
SMILESCN(C)c1ccc(C(c2ccccc2)c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C24H24N2/c1-25(2)20-15-13-19(14-16-20)24(18-9-5-4-6-10-18)22-17-26(3)23-12-8-7-11-21(22)23/h4-17,24H,1-3H3
InChIKeyJMJVVYCTVCHGEW-UHFFFAOYSA-N
MW340.47 g/mol
LogP5.42
Rot. Bonds4

About N,N-dimethyl-4-[(1-methylindol-3-yl)-phenylmethyl]aniline

N,N-dimethyl-4-[(1-methylindol-3-yl)-phenylmethyl]aniline (PubChem CID 86230420) has the molecular formula C24H24N2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N,N-dimethyl-4-[(1-methylindol-3-yl)-phenylmethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(1-methylindol-3-yl)-phenylmethyl]aniline
PubChem CID86230420
Molecular FormulaC24H24N2
Molecular Weight340.47 g/mol
Exact Mass340.19
IUPAC NameN,N-dimethyl-4-[(1-methylindol-3-yl)-phenylmethyl]aniline
SMILESCN(C)c1ccc(C(c2ccccc2)c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C24H24N2/c1-25(2)20-15-13-19(14-16-20)24(18-9-5-4-6-10-18)22-17-26(3)23-12-8-7-11-21(22)23/h4-17,24H,1-3H3
InChIKeyJMJVVYCTVCHGEW-UHFFFAOYSA-N
XLogP5.42
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-fluorophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole
CID 66555482
1-methyl-3-[(S)-phenyl(thiophen-2-yl)methyl]indole
CID 92720063
4-[(2-chlorophenyl)-phenylmethyl]-N,N-dimethylaniline
CID 22115274
1-methyl-3-propan-2-ylindole
CID 10942942
1-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)methanamine
CID 116915219
1-methyl-3-[(1-methylindol-3-yl)-(2-methylphenyl)methyl]indole
CID 177441153
1-methyl-3-[1-(1-methylindol-3-yl)butyl]indole
CID 22019303
4-[(4-iodophenyl)-phenylmethyl]-N,N-dimethylaniline
CID 138551235
4-(dimethylamino)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide
CID 90535031
4-[(2-ethenylphenyl)-phenylmethyl]-N,N-dimethylaniline
CID 150187096
1-methyl-3-[(1-methylindol-3-yl)-thiophen-2-ylmethyl]indole
CID 5087383
(3S)-N-methyl-3-(1-methylindol-3-yl)-3-phenylpropan-1-amine
CID 58088577

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(1-methylindol-3-yl)-phenylmethyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(1-methylindol-3-yl)-phenylmethyl]aniline (CID 86230420) is N,N-dimethyl-4-[(1-methylindol-3-yl)-phenylmethyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(1-methylindol-3-yl)-phenylmethyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(1-methylindol-3-yl)-phenylmethyl]aniline is CN(C)c1ccc(C(c2ccccc2)c2cn(C)c3ccccc23)cc1.
What is the InChIKey of N,N-dimethyl-4-[(1-methylindol-3-yl)-phenylmethyl]aniline?
The InChIKey is JMJVVYCTVCHGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2/c1-25(2)20-15-13-19(14-16-20)24(18-9-5-4-6-10-18)22-17-26(3)23-12-8-7-11-21(22)23/h4-17,24H,1-3H3.
What are the key properties of N,N-dimethyl-4-[(1-methylindol-3-yl)-phenylmethyl]aniline?
N,N-dimethyl-4-[(1-methylindol-3-yl)-phenylmethyl]aniline has a molecular weight of 340.47 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(1-methylindol-3-yl)-phenylmethyl]aniline is sourced from PubChem (CID 86230420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).