3-chloro-4-(1H-indol-7-yloxy)aniline

C14H11ClN2O — CID 68660571

IUPAC3-chloro-4-(1H-indol-7-yloxy)aniline
SMILESNc1ccc(Oc2cccc3cc[nH]c23)c(Cl)c1
InChIInChI=1S/C14H11ClN2O/c15-11-8-10(16)4-5-12(11)18-13-3-1-2-9-6-7-17-14(9)13/h1-8,17H,16H2
InChIKeySVQBSKYHJBGEBP-UHFFFAOYSA-N
MW258.71 g/mol
LogP4.20
Rot. Bonds2

About 3-chloro-4-(1H-indol-7-yloxy)aniline

3-chloro-4-(1H-indol-7-yloxy)aniline (PubChem CID 68660571) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 3-chloro-4-(1H-indol-7-yloxy)aniline.

Molecular Properties

Compound Name3-chloro-4-(1H-indol-7-yloxy)aniline
PubChem CID68660571
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name3-chloro-4-(1H-indol-7-yloxy)aniline
SMILESNc1ccc(Oc2cccc3cc[nH]c23)c(Cl)c1
InChIInChI=1S/C14H11ClN2O/c15-11-8-10(16)4-5-12(11)18-13-3-1-2-9-6-7-17-14(9)13/h1-8,17H,16H2
InChIKeySVQBSKYHJBGEBP-UHFFFAOYSA-N
XLogP4.20
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-Chloromelatonin
CID 1858
N-((2R)-2-(6-Chloro-5-methoxy-1H-indol-3-yl)propyl)acetamide
CID 219018
5-Benzyloxyindole
CID 14624
3-[(2S)-2-amino-3-({6-chloro-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]-1H-indole
CID 10194362
3-[(2S)-2-amino-3-({2-chloro-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]-1H-indole
CID 10237750
7-Benzyloxytryptamine
CID 260806
[2-(3-Chloro-1H-indol-4-yloxy)-ethyl]-(4-phenyl-butyl)-amine
CID 9884480
(R)-1-(3-Chloro-phenyl)-2-[2-(7-ethoxy-1H-indol-3-yl)-1-methyl-ethylamino]-ethanol
CID 11199616
7-Methoxy-1H-indole
CID 76660
5-Benzyloxytryptamine hydrochloride
CID 2828785
N-(4-chlorobenzyl)-2-(5-methoxy-1H-indol-3-yl)ethanamine
CID 5200316
N-[3,5-Dichloro-4-(1H-indol-5-yloxy)-phenyl]-oxalamic acid ethyl ester
CID 44391396

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(1H-indol-7-yloxy)aniline?
The IUPAC name of 3-chloro-4-(1H-indol-7-yloxy)aniline (CID 68660571) is 3-chloro-4-(1H-indol-7-yloxy)aniline.
What is the SMILES notation for 3-chloro-4-(1H-indol-7-yloxy)aniline?
The canonical SMILES for 3-chloro-4-(1H-indol-7-yloxy)aniline is Nc1ccc(Oc2cccc3cc[nH]c23)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(1H-indol-7-yloxy)aniline?
The InChIKey is SVQBSKYHJBGEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c15-11-8-10(16)4-5-12(11)18-13-3-1-2-9-6-7-17-14(9)13/h1-8,17H,16H2.
What are the key properties of 3-chloro-4-(1H-indol-7-yloxy)aniline?
3-chloro-4-(1H-indol-7-yloxy)aniline has a molecular weight of 258.71 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(1H-indol-7-yloxy)aniline is sourced from PubChem (CID 68660571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).