4-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)indole

C19H18ClN — CID 116623661

IUPAC4-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)indole
SMILESClc1cccc2c1ccn2CC1CCCc2ccccc21
InChIInChI=1S/C19H18ClN/c20-18-9-4-10-19-17(18)11-12-21(19)13-15-7-3-6-14-5-1-2-8-16(14)15/h1-2,4-5,8-12,15H,3,6-7,13H2
InChIKeyJOTCKWBCHBERRY-UHFFFAOYSA-N
MW295.81 g/mol
LogP5.41
Rot. Bonds2

About 4-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)indole

4-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)indole (PubChem CID 116623661) has the molecular formula C19H18ClN and a molecular weight of 295.81 g/mol. Its IUPAC name is 4-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)indole.

Molecular Properties

Compound Name4-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)indole
PubChem CID116623661
Molecular FormulaC19H18ClN
Molecular Weight295.81 g/mol
Exact Mass295.11
IUPAC Name4-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)indole
SMILESClc1cccc2c1ccn2CC1CCCc2ccccc21
InChIInChI=1S/C19H18ClN/c20-18-9-4-10-19-17(18)11-12-21(19)13-15-7-3-6-14-5-1-2-8-16(14)15/h1-2,4-5,8-12,15H,3,6-7,13H2
InChIKeyJOTCKWBCHBERRY-UHFFFAOYSA-N
XLogP5.41
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.81
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole
CID 116623721
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylindole
CID 116620411
3-chloro-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 107715792
3-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine
CID 63771318
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-2-yl]methanamine
CID 63771609
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methoxyindole
CID 83165935
N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-2-yl]methyl]propan-2-amine
CID 63771957
1-(2-bromoethyl)-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine
CID 80678906
[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methanol
CID 55242278
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)indole-4-carbothioamide
CID 107919375
1,2-dichlorobenzene;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 142874609

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)indole?
The IUPAC name of 4-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)indole (CID 116623661) is 4-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)indole.
What is the SMILES notation for 4-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)indole?
The canonical SMILES for 4-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)indole is Clc1cccc2c1ccn2CC1CCCc2ccccc21.
What is the InChIKey of 4-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)indole?
The InChIKey is JOTCKWBCHBERRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN/c20-18-9-4-10-19-17(18)11-12-21(19)13-15-7-3-6-14-5-1-2-8-16(14)15/h1-2,4-5,8-12,15H,3,6-7,13H2.
What are the key properties of 4-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)indole?
4-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)indole has a molecular weight of 295.81 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)indole is sourced from PubChem (CID 116623661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).