1-[(2,6-dichlorophenyl)methyl]indol-7-amine

C15H12Cl2N2 — CID 114935944

IUPAC1-[(2,6-dichlorophenyl)methyl]indol-7-amine
SMILESNc1cccc2ccn(Cc3c(Cl)cccc3Cl)c12
InChIInChI=1S/C15H12Cl2N2/c16-12-4-2-5-13(17)11(12)9-19-8-7-10-3-1-6-14(18)15(10)19/h1-8H,9,18H2
InChIKeyUDTHIGSQVDOHRX-UHFFFAOYSA-N
MW291.18 g/mol
LogP4.58
Rot. Bonds2

About 1-[(2,6-dichlorophenyl)methyl]indol-7-amine

1-[(2,6-dichlorophenyl)methyl]indol-7-amine (PubChem CID 114935944) has the molecular formula C15H12Cl2N2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]indol-7-amine.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]indol-7-amine
PubChem CID114935944
Molecular FormulaC15H12Cl2N2
Molecular Weight291.18 g/mol
Exact Mass290.04
IUPAC Name1-[(2,6-dichlorophenyl)methyl]indol-7-amine
SMILESNc1cccc2ccn(Cc3c(Cl)cccc3Cl)c12
InChIInChI=1S/C15H12Cl2N2/c16-12-4-2-5-13(17)11(12)9-19-8-7-10-3-1-6-14(18)15(10)19/h1-8H,9,18H2
InChIKeyUDTHIGSQVDOHRX-UHFFFAOYSA-N
XLogP4.58
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methylphenyl)methyl]indol-7-amine
CID 114935703
1-[(2,6-dichlorophenyl)methyl]-7-nitroindole
CID 114936176
7-chloro-1-[(2,6-dimethylphenyl)methyl]indole
CID 103475380
7-chloro-1-[(2,6-difluorophenyl)methyl]indole
CID 103475121
1-[(4-methoxyphenyl)methyl]indol-7-amine
CID 114935856
7-chloro-1-[(2,4,6-trimethylphenyl)methyl]indole
CID 103475068
1-[(6-methyl-2-pyridinyl)methyl]indol-7-amine
CID 114935790
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]indol-7-amine
CID 114935734
2-(indol-1-ylmethyl)benzene-1,3-diamine
CID 141087878
1-[(4-fluoro-2-methylphenyl)methyl]indol-7-amine
CID 114935840
1-(cyclopentylmethyl)indol-7-amine
CID 114935809
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]indol-7-amine
CID 114935834

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]indol-7-amine?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]indol-7-amine (CID 114935944) is 1-[(2,6-dichlorophenyl)methyl]indol-7-amine.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]indol-7-amine?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]indol-7-amine is Nc1cccc2ccn(Cc3c(Cl)cccc3Cl)c12.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]indol-7-amine?
The InChIKey is UDTHIGSQVDOHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2/c16-12-4-2-5-13(17)11(12)9-19-8-7-10-3-1-6-14(18)15(10)19/h1-8H,9,18H2.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]indol-7-amine?
1-[(2,6-dichlorophenyl)methyl]indol-7-amine has a molecular weight of 291.18 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]indol-7-amine is sourced from PubChem (CID 114935944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).