1-[(3,4-dichlorophenyl)methyl]-5-fluoro-2,3-dihydroindol-3-amine;dihydrochloride

C15H15Cl4FN2 — CID 76853797

IUPAC1-[(3,4-dichlorophenyl)methyl]-5-fluoro-2,3-dihydroindol-3-amine;dihydrochloride
SMILESCl.Cl.NC1CN(Cc2ccc(Cl)c(Cl)c2)c2ccc(F)cc21
InChIInChI=1S/C15H13Cl2FN2.2ClH/c16-12-3-1-9(5-13(12)17)7-20-8-14(19)11-6-10(18)2-4-15(11)20;;/h1-6,14H,7-8,19H2;2*1H
InChIKeyZLDWNSCISWAGNY-UHFFFAOYSA-N
MW384.11 g/mol
LogP5.00
Rot. Bonds2

About 1-[(3,4-dichlorophenyl)methyl]-5-fluoro-2,3-dihydroindol-3-amine;dihydrochloride

1-[(3,4-dichlorophenyl)methyl]-5-fluoro-2,3-dihydroindol-3-amine;dihydrochloride (PubChem CID 76853797) has the molecular formula C15H15Cl4FN2 and a molecular weight of 384.11 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-5-fluoro-2,3-dihydroindol-3-amine;dihydrochloride.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-5-fluoro-2,3-dihydroindol-3-amine;dihydrochloride
PubChem CID76853797
Molecular FormulaC15H15Cl4FN2
Molecular Weight384.11 g/mol
Exact Mass382.00
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-5-fluoro-2,3-dihydroindol-3-amine;dihydrochloride
SMILESCl.Cl.NC1CN(Cc2ccc(Cl)c(Cl)c2)c2ccc(F)cc21
InChIInChI=1S/C15H13Cl2FN2.2ClH/c16-12-3-1-9(5-13(12)17)7-20-8-14(19)11-6-10(18)2-4-15(11)20;;/h1-6,14H,7-8,19H2;2*1H
InChIKeyZLDWNSCISWAGNY-UHFFFAOYSA-N
XLogP5.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.11
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-1-[(3,4-dichlorophenyl)methyl]-5-fluoro-3H-indol-2-one
CID 51441524
1-benzyl-5-chloro-2,3-dihydroindol-3-amine
CID 45043255
1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 22194716
1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 11382802
3-amino-5-fluoro-1-[(4-fluorophenyl)methyl]-3H-indol-2-one;hydrochloride
CID 71432564
1-[(2-chlorophenyl)methyl]-2,3-dihydroindol-3-amine;dihydrochloride
CID 76853791
2-[1-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine
CID 83233282
8-fluoro-5-[(4-methylphenyl)methyl]-3-phenyl-1,2,3,3a,4,9b-hexahydropyrazolo[4,3-c]quinoline
CID 178187113
1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120966061
(3R)-1-[(3,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9147002
1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79879309
[4-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine
CID 82339059

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-5-fluoro-2,3-dihydroindol-3-amine;dihydrochloride?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-5-fluoro-2,3-dihydroindol-3-amine;dihydrochloride (CID 76853797) is 1-[(3,4-dichlorophenyl)methyl]-5-fluoro-2,3-dihydroindol-3-amine;dihydrochloride.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-5-fluoro-2,3-dihydroindol-3-amine;dihydrochloride?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-5-fluoro-2,3-dihydroindol-3-amine;dihydrochloride is Cl.Cl.NC1CN(Cc2ccc(Cl)c(Cl)c2)c2ccc(F)cc21.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-5-fluoro-2,3-dihydroindol-3-amine;dihydrochloride?
The InChIKey is ZLDWNSCISWAGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2.2ClH/c16-12-3-1-9(5-13(12)17)7-20-8-14(19)11-6-10(18)2-4-15(11)20;;/h1-6,14H,7-8,19H2;2*1H.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-5-fluoro-2,3-dihydroindol-3-amine;dihydrochloride?
1-[(3,4-dichlorophenyl)methyl]-5-fluoro-2,3-dihydroindol-3-amine;dihydrochloride has a molecular weight of 384.11 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-5-fluoro-2,3-dihydroindol-3-amine;dihydrochloride is sourced from PubChem (CID 76853797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).