2-[6-chloro-1-[(1-methyltriazol-4-yl)methyl]indol-3-yl]ethanamine

C14H16ClN5 — CID 107053865

IUPAC2-[6-chloro-1-[(1-methyltriazol-4-yl)methyl]indol-3-yl]ethanamine
SMILESCn1cc(Cn2cc(CCN)c3ccc(Cl)cc32)nn1
InChIInChI=1S/C14H16ClN5/c1-19-8-12(17-18-19)9-20-7-10(4-5-16)13-3-2-11(15)6-14(13)20/h2-3,6-8H,4-5,9,16H2,1H3
InChIKeyXJNOVHKRTDADPS-UHFFFAOYSA-N
MW289.77 g/mol
LogP1.97
Rot. Bonds4

About 2-[6-chloro-1-[(1-methyltriazol-4-yl)methyl]indol-3-yl]ethanamine

2-[6-chloro-1-[(1-methyltriazol-4-yl)methyl]indol-3-yl]ethanamine (PubChem CID 107053865) has the molecular formula C14H16ClN5 and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-[6-chloro-1-[(1-methyltriazol-4-yl)methyl]indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[6-chloro-1-[(1-methyltriazol-4-yl)methyl]indol-3-yl]ethanamine
PubChem CID107053865
Molecular FormulaC14H16ClN5
Molecular Weight289.77 g/mol
Exact Mass289.11
IUPAC Name2-[6-chloro-1-[(1-methyltriazol-4-yl)methyl]indol-3-yl]ethanamine
SMILESCn1cc(Cn2cc(CCN)c3ccc(Cl)cc32)nn1
InChIInChI=1S/C14H16ClN5/c1-19-8-12(17-18-19)9-20-7-10(4-5-16)13-3-2-11(15)6-14(13)20/h2-3,6-8H,4-5,9,16H2,1H3
InChIKeyXJNOVHKRTDADPS-UHFFFAOYSA-N
XLogP1.97
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-butyl-6-chloroindol-1-yl)propan-1-amine
CID 83948692
2-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]ethanamine
CID 107053881
2-[1-[(1-methylpyrazol-3-yl)methyl]indol-3-yl]ethanamine
CID 82871680
6-[3-(aminomethyl)-6-chloroindol-1-yl]hexan-1-ol
CID 107705897
[6-chloro-1-(2-ethylsulfanylethyl)indol-3-yl]methanamine
CID 113473972
2-[3-(3-aminopropyl)-6-chloroindol-1-yl]acetic acid
CID 83945236
2-[1-[(4-chloro-2-fluorophenyl)methyl]indol-3-yl]ethanamine
CID 114859178
[6-chloro-1-[(5-fluoro-2-methylphenyl)methyl]indol-3-yl]methanamine
CID 105372683
2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]ethanamine
CID 107053802
2-[5-chloro-1-[(3-methyl-4-pyridinyl)methyl]indol-3-yl]ethanamine
CID 142538872
2-[1-(2-aminoethyl)-6-chloro-7-methylindol-3-yl]ethanamine
CID 83948657
2-(6-fluoro-1-propylindol-3-yl)ethanamine
CID 54594691

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-1-[(1-methyltriazol-4-yl)methyl]indol-3-yl]ethanamine?
The IUPAC name of 2-[6-chloro-1-[(1-methyltriazol-4-yl)methyl]indol-3-yl]ethanamine (CID 107053865) is 2-[6-chloro-1-[(1-methyltriazol-4-yl)methyl]indol-3-yl]ethanamine.
What is the SMILES notation for 2-[6-chloro-1-[(1-methyltriazol-4-yl)methyl]indol-3-yl]ethanamine?
The canonical SMILES for 2-[6-chloro-1-[(1-methyltriazol-4-yl)methyl]indol-3-yl]ethanamine is Cn1cc(Cn2cc(CCN)c3ccc(Cl)cc32)nn1.
What is the InChIKey of 2-[6-chloro-1-[(1-methyltriazol-4-yl)methyl]indol-3-yl]ethanamine?
The InChIKey is XJNOVHKRTDADPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5/c1-19-8-12(17-18-19)9-20-7-10(4-5-16)13-3-2-11(15)6-14(13)20/h2-3,6-8H,4-5,9,16H2,1H3.
What are the key properties of 2-[6-chloro-1-[(1-methyltriazol-4-yl)methyl]indol-3-yl]ethanamine?
2-[6-chloro-1-[(1-methyltriazol-4-yl)methyl]indol-3-yl]ethanamine has a molecular weight of 289.77 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-1-[(1-methyltriazol-4-yl)methyl]indol-3-yl]ethanamine is sourced from PubChem (CID 107053865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).