4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline

C23H21ClN2 — CID 102231510

IUPAC4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(c2ccccc2)c2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C23H21ClN2/c1-26(2)19-11-8-17(9-12-19)23(16-6-4-3-5-7-16)21-15-25-22-13-10-18(24)14-20(21)22/h3-15,23,25H,1-2H3
InChIKeyOYGROXNCBUXTCV-UHFFFAOYSA-N
MW360.89 g/mol
LogP6.07
Rot. Bonds4

About 4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline

4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline (PubChem CID 102231510) has the molecular formula C23H21ClN2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline
PubChem CID102231510
Molecular FormulaC23H21ClN2
Molecular Weight360.89 g/mol
Exact Mass360.14
IUPAC Name4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(c2ccccc2)c2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C23H21ClN2/c1-26(2)19-11-8-17(9-12-19)23(16-6-4-3-5-7-16)21-15-25-22-13-10-18(24)14-20(21)22/h3-15,23,25H,1-2H3
InChIKeyOYGROXNCBUXTCV-UHFFFAOYSA-N
XLogP6.07
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.89
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2-chlorophenyl)-phenylmethyl]-N,N-dimethylaniline
CID 22115274
4-[(5-bromo-1H-indol-3-yl)-(4-nitrophenyl)methyl]-N,N-dimethylaniline
CID 166445702
3-[(4-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole
CID 139526052
3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole
CID 25098654
2-[(6-chloro-1H-indol-3-yl)-phenylmethyl]phenol
CID 172685191
5-chloro-3-(3-methylbutan-2-yl)-1H-indole
CID 106985155
1-(5-chloro-1H-indol-3-yl)ethanamine
CID 3016992
(1R)-1-(5-chloro-1H-indol-3-yl)ethanamine
CID 78961660
1-(5-chloro-1H-indol-3-yl)ethanol
CID 117195568
3-[cyclopenta-1,4-dien-1-yl(phenyl)methyl]-5-methyl-1H-indole
CID 135014983
(1S)-1-(5-chloro-1H-indol-3-yl)propan-1-ol
CID 82758549
2-(5-chloro-1H-indol-3-yl)-3-methylbutan-1-amine
CID 82496887

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline (CID 102231510) is 4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline is CN(C)c1ccc(C(c2ccccc2)c2c[nH]c3ccc(Cl)cc23)cc1.
What is the InChIKey of 4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline?
The InChIKey is OYGROXNCBUXTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2/c1-26(2)19-11-8-17(9-12-19)23(16-6-4-3-5-7-16)21-15-25-22-13-10-18(24)14-20(21)22/h3-15,23,25H,1-2H3.
What are the key properties of 4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline?
4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline has a molecular weight of 360.89 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline is sourced from PubChem (CID 102231510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).