1-(1-benzyl-5-methylindol-3-yl)-N,N-dimethylmethanamine

C19H22N2 — CID 132510883

IUPAC1-(1-benzyl-5-methylindol-3-yl)-N,N-dimethylmethanamine
SMILESCc1ccc2c(c1)c(CN(C)C)cn2Cc1ccccc1
InChIInChI=1S/C19H22N2/c1-15-9-10-19-18(11-15)17(13-20(2)3)14-21(19)12-16-7-5-4-6-8-16/h4-11,14H,12-13H2,1-3H3
InChIKeyZMOBUVZTSCWHID-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.06
Rot. Bonds4

About 1-(1-benzyl-5-methylindol-3-yl)-N,N-dimethylmethanamine

1-(1-benzyl-5-methylindol-3-yl)-N,N-dimethylmethanamine (PubChem CID 132510883) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(1-benzyl-5-methylindol-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(1-benzyl-5-methylindol-3-yl)-N,N-dimethylmethanamine
PubChem CID132510883
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name1-(1-benzyl-5-methylindol-3-yl)-N,N-dimethylmethanamine
SMILESCc1ccc2c(c1)c(CN(C)C)cn2Cc1ccccc1
InChIInChI=1S/C19H22N2/c1-15-9-10-19-18(11-15)17(13-20(2)3)14-21(19)12-16-7-5-4-6-8-16/h4-11,14H,12-13H2,1-3H3
InChIKeyZMOBUVZTSCWHID-UHFFFAOYSA-N
XLogP4.06
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-chloro-1-[(4-methylphenyl)methyl]indol-3-yl]-N,N-dimethylmethanamine
CID 134092367
N,N-dimethyl-1-[1-(3-methylbut-2-enyl)-5-(3-methylphenyl)indol-3-yl]methanamine
CID 50915818
1-benzyl-5-methyl-3-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]indole
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1-benzyl-5-methylbenzimidazole
CID 12620837
5-methyl-1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde
CID 155672688
3-(1,3-benzodioxole-5-carbonyl)-1-benzyl-6-methylquinolin-4-one
CID 20864529
1-benzyl-3-methylindole;ethane
CID 145343697
2-(3-benzyl-6-methyl-4-oxoquinolin-1-yl)acetic acid
CID 141141284
(2S)-1-(1-benzyl-5-fluoroindol-3-yl)propan-2-amine
CID 41063932
3-(2-aminoethyl)-1-benzylindol-5-ol
CID 175444394
1-ethyl-5-methyl-3-(phenoxymethyl)indole
CID 117185186
1-benzyl-2-chloro-4-methylpyrrole
CID 139840309

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-5-methylindol-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(1-benzyl-5-methylindol-3-yl)-N,N-dimethylmethanamine (CID 132510883) is 1-(1-benzyl-5-methylindol-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(1-benzyl-5-methylindol-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(1-benzyl-5-methylindol-3-yl)-N,N-dimethylmethanamine is Cc1ccc2c(c1)c(CN(C)C)cn2Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-5-methylindol-3-yl)-N,N-dimethylmethanamine?
The InChIKey is ZMOBUVZTSCWHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-15-9-10-19-18(11-15)17(13-20(2)3)14-21(19)12-16-7-5-4-6-8-16/h4-11,14H,12-13H2,1-3H3.
What are the key properties of 1-(1-benzyl-5-methylindol-3-yl)-N,N-dimethylmethanamine?
1-(1-benzyl-5-methylindol-3-yl)-N,N-dimethylmethanamine has a molecular weight of 278.40 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-5-methylindol-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 132510883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).