2-[5-chloro-1-[(3-methyl-4-pyridinyl)methyl]indol-3-yl]ethanamine

C17H18ClN3 — CID 142538872

IUPAC2-[5-chloro-1-[(3-methyl-4-pyridinyl)methyl]indol-3-yl]ethanamine
SMILESCc1cnccc1Cn1cc(CCN)c2cc(Cl)ccc21
InChIInChI=1S/C17H18ClN3/c1-12-9-20-7-5-13(12)10-21-11-14(4-6-19)16-8-15(18)2-3-17(16)21/h2-3,5,7-9,11H,4,6,10,19H2,1H3
InChIKeyXEAAMBMTPUYFAH-UHFFFAOYSA-N
MW299.81 g/mol
LogP3.55
Rot. Bonds4

About 2-[5-chloro-1-[(3-methyl-4-pyridinyl)methyl]indol-3-yl]ethanamine

2-[5-chloro-1-[(3-methyl-4-pyridinyl)methyl]indol-3-yl]ethanamine (PubChem CID 142538872) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 2-[5-chloro-1-[(3-methyl-4-pyridinyl)methyl]indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-chloro-1-[(3-methyl-4-pyridinyl)methyl]indol-3-yl]ethanamine
PubChem CID142538872
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name2-[5-chloro-1-[(3-methyl-4-pyridinyl)methyl]indol-3-yl]ethanamine
SMILESCc1cnccc1Cn1cc(CCN)c2cc(Cl)ccc21
InChIInChI=1S/C17H18ClN3/c1-12-9-20-7-5-13(12)10-21-11-14(4-6-19)16-8-15(18)2-3-17(16)21/h2-3,5,7-9,11H,4,6,10,19H2,1H3
InChIKeyXEAAMBMTPUYFAH-UHFFFAOYSA-N
XLogP3.55
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4-chloro-2-fluorophenyl)methyl]indol-3-yl]ethanamine
CID 114859178
5-chloro-2-(1-chloroethyl)-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole
CID 114701310
6-chloro-2-(chloromethyl)-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole
CID 114701318
2-[6-chloro-1-[(1-methyltriazol-4-yl)methyl]indol-3-yl]ethanamine
CID 107053865
5-chloro-1-[(4-chlorophenyl)methyl]-3-methylindole;ethane
CID 142538861
3-(2-aminoethyl)-1-benzylindol-5-ol
CID 175444394
3-(5-chloro-1-prop-2-ynylindol-3-yl)propan-1-amine
CID 89457230
2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride
CID 71089492
2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 103049943
5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylindole
CID 142538843
5-chloro-1-ethyl-3-methylindole
CID 23383492
5-chloro-1-methyl-3-(pyridin-3-yloxymethyl)indole
CID 117175188

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-1-[(3-methyl-4-pyridinyl)methyl]indol-3-yl]ethanamine?
The IUPAC name of 2-[5-chloro-1-[(3-methyl-4-pyridinyl)methyl]indol-3-yl]ethanamine (CID 142538872) is 2-[5-chloro-1-[(3-methyl-4-pyridinyl)methyl]indol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-chloro-1-[(3-methyl-4-pyridinyl)methyl]indol-3-yl]ethanamine?
The canonical SMILES for 2-[5-chloro-1-[(3-methyl-4-pyridinyl)methyl]indol-3-yl]ethanamine is Cc1cnccc1Cn1cc(CCN)c2cc(Cl)ccc21.
What is the InChIKey of 2-[5-chloro-1-[(3-methyl-4-pyridinyl)methyl]indol-3-yl]ethanamine?
The InChIKey is XEAAMBMTPUYFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-12-9-20-7-5-13(12)10-21-11-14(4-6-19)16-8-15(18)2-3-17(16)21/h2-3,5,7-9,11H,4,6,10,19H2,1H3.
What are the key properties of 2-[5-chloro-1-[(3-methyl-4-pyridinyl)methyl]indol-3-yl]ethanamine?
2-[5-chloro-1-[(3-methyl-4-pyridinyl)methyl]indol-3-yl]ethanamine has a molecular weight of 299.81 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-1-[(3-methyl-4-pyridinyl)methyl]indol-3-yl]ethanamine is sourced from PubChem (CID 142538872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).