4-[2-(3-chloro-2-pyridinyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine

C19H22ClN3 — CID 3434232

IUPAC4-[2-(3-chloro-2-pyridinyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine
SMILESCc1cc(C)c2[nH]c(-c3ncccc3Cl)c(CCCCN)c2c1
InChIInChI=1S/C19H22ClN3/c1-12-10-13(2)17-15(11-12)14(6-3-4-8-21)18(23-17)19-16(20)7-5-9-22-19/h5,7,9-11,23H,3-4,6,8,21H2,1-2H3
InChIKeyMLFCUSJRFGFMLS-UHFFFAOYSA-N
MW327.86 g/mol
LogP4.78
Rot. Bonds5

About 4-[2-(3-chloro-2-pyridinyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine

4-[2-(3-chloro-2-pyridinyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine (PubChem CID 3434232) has the molecular formula C19H22ClN3 and a molecular weight of 327.86 g/mol. Its IUPAC name is 4-[2-(3-chloro-2-pyridinyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(3-chloro-2-pyridinyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine
PubChem CID3434232
Molecular FormulaC19H22ClN3
Molecular Weight327.86 g/mol
Exact Mass327.15
IUPAC Name4-[2-(3-chloro-2-pyridinyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine
SMILESCc1cc(C)c2[nH]c(-c3ncccc3Cl)c(CCCCN)c2c1
InChIInChI=1S/C19H22ClN3/c1-12-10-13(2)17-15(11-12)14(6-3-4-8-21)18(23-17)19-16(20)7-5-9-22-19/h5,7,9-11,23H,3-4,6,8,21H2,1-2H3
InChIKeyMLFCUSJRFGFMLS-UHFFFAOYSA-N
XLogP4.78
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(3-chloro-4-pyridinyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 4689864
3-(4-aminobutyl)-2-(3-chloro-2-pyridinyl)-7-methyl-1H-indole-4-carboxylic acid
CID 3649814
4-[5,7-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4603225
4-(5-chloro-7-methyl-2-pyridin-2-yl-1H-indol-3-yl)butan-1-amine
CID 3574352
4-[5,7-dimethyl-2-(3-methylthiophen-2-yl)-1H-indol-3-yl]butan-1-amine
CID 5140207
4-[2-(2-methoxy-3-methylphenyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 3991450
4-[5-chloro-7-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5099960
4-[5-methoxy-2-(2-methoxy-3-pyridinyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 3380533
4-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 4566691
4-[5-chloro-2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 3574598
4-[2-(2,6-dichlorophenyl)-4,6-dimethyl-1H-indol-3-yl]butan-1-amine
CID 3449867
4-[7-bromo-2-(2,4,6-trimethylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3383373

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chloro-2-pyridinyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[2-(3-chloro-2-pyridinyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine (CID 3434232) is 4-[2-(3-chloro-2-pyridinyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[2-(3-chloro-2-pyridinyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[2-(3-chloro-2-pyridinyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine is Cc1cc(C)c2[nH]c(-c3ncccc3Cl)c(CCCCN)c2c1.
What is the InChIKey of 4-[2-(3-chloro-2-pyridinyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine?
The InChIKey is MLFCUSJRFGFMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3/c1-12-10-13(2)17-15(11-12)14(6-3-4-8-21)18(23-17)19-16(20)7-5-9-22-19/h5,7,9-11,23H,3-4,6,8,21H2,1-2H3.
What are the key properties of 4-[2-(3-chloro-2-pyridinyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine?
4-[2-(3-chloro-2-pyridinyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine has a molecular weight of 327.86 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chloro-2-pyridinyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 3434232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).