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

C19H22ClN3 — CID 4211375

IUPAC4-[2-(3-chloro-4-pyridinyl)-7-ethyl-1H-indol-3-yl]butan-1-amine
SMILESCCc1cccc2c(CCCCN)c(-c3ccncc3Cl)[nH]c12
InChIInChI=1S/C19H22ClN3/c1-2-13-6-5-8-14-15(7-3-4-10-21)19(23-18(13)14)16-9-11-22-12-17(16)20/h5-6,8-9,11-12,23H,2-4,7,10,21H2,1H3
InChIKeyZCXUUEQOLXLFTB-UHFFFAOYSA-N
MW327.86 g/mol
LogP4.73
Rot. Bonds6

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

4-[2-(3-chloro-4-pyridinyl)-7-ethyl-1H-indol-3-yl]butan-1-amine (PubChem CID 4211375) has the molecular formula C19H22ClN3 and a molecular weight of 327.86 g/mol. Its IUPAC name is 4-[2-(3-chloro-4-pyridinyl)-7-ethyl-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(3-chloro-4-pyridinyl)-7-ethyl-1H-indol-3-yl]butan-1-amine
PubChem CID4211375
Molecular FormulaC19H22ClN3
Molecular Weight327.86 g/mol
Exact Mass327.15
IUPAC Name4-[2-(3-chloro-4-pyridinyl)-7-ethyl-1H-indol-3-yl]butan-1-amine
SMILESCCc1cccc2c(CCCCN)c(-c3ccncc3Cl)[nH]c12
InChIInChI=1S/C19H22ClN3/c1-2-13-6-5-8-14-15(7-3-4-10-21)19(23-18(13)14)16-9-11-22-12-17(16)20/h5-6,8-9,11-12,23H,2-4,7,10,21H2,1H3
InChIKeyZCXUUEQOLXLFTB-UHFFFAOYSA-N
XLogP4.73
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]butan-1-amine
CID 4012865
4-[7-butan-2-yl-2-(3-chloro-4-pyridinyl)-1H-indol-3-yl]butan-1-amine
CID 3928393
4-[2-(3-chloro-4-pyridinyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 4689864
4-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5034856
4-[7-ethyl-2-(1-methylbenzimidazol-2-yl)-1H-indol-3-yl]butan-1-amine
CID 4275710
4-(7-methyl-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine
CID 5160195
4-[2-(2-chloro-4-fluorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine
CID 4532381
4-[2-(2,3-dichlorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine
CID 5140210
2-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]acetic acid
CID 5027845
4-[2-(2,4-dichlorophenyl)-1H-benzo[g]indol-3-yl]butan-1-amine
CID 3936091
4-[7-chloro-2-(2,4-difluorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3622916
4-[5-bromo-7-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5135611

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chloro-4-pyridinyl)-7-ethyl-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[2-(3-chloro-4-pyridinyl)-7-ethyl-1H-indol-3-yl]butan-1-amine (CID 4211375) is 4-[2-(3-chloro-4-pyridinyl)-7-ethyl-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[2-(3-chloro-4-pyridinyl)-7-ethyl-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[2-(3-chloro-4-pyridinyl)-7-ethyl-1H-indol-3-yl]butan-1-amine is CCc1cccc2c(CCCCN)c(-c3ccncc3Cl)[nH]c12.
What is the InChIKey of 4-[2-(3-chloro-4-pyridinyl)-7-ethyl-1H-indol-3-yl]butan-1-amine?
The InChIKey is ZCXUUEQOLXLFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3/c1-2-13-6-5-8-14-15(7-3-4-10-21)19(23-18(13)14)16-9-11-22-12-17(16)20/h5-6,8-9,11-12,23H,2-4,7,10,21H2,1H3.
What are the key properties of 4-[2-(3-chloro-4-pyridinyl)-7-ethyl-1H-indol-3-yl]butan-1-amine?
4-[2-(3-chloro-4-pyridinyl)-7-ethyl-1H-indol-3-yl]butan-1-amine has a molecular weight of 327.86 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chloro-4-pyridinyl)-7-ethyl-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 4211375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).