1-[(2-chloro-4-methylphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine

C17H19ClN2 — CID 106864235

IUPAC1-[(2-chloro-4-methylphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
SMILESCc1ccc(CN2CCc3cc(C)c(N)cc32)c(Cl)c1
InChIInChI=1S/C17H19ClN2/c1-11-3-4-14(15(18)7-11)10-20-6-5-13-8-12(2)16(19)9-17(13)20/h3-4,7-9H,5-6,10,19H2,1-2H3
InChIKeyGAVJQHNTOOKBPV-UHFFFAOYSA-N
MW286.81 g/mol
LogP4.10
Rot. Bonds2

About 1-[(2-chloro-4-methylphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine

1-[(2-chloro-4-methylphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine (PubChem CID 106864235) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 1-[(2-chloro-4-methylphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-[(2-chloro-4-methylphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
PubChem CID106864235
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name1-[(2-chloro-4-methylphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
SMILESCc1ccc(CN2CCc3cc(C)c(N)cc32)c(Cl)c1
InChIInChI=1S/C17H19ClN2/c1-11-3-4-14(15(18)7-11)10-20-6-5-13-8-12(2)16(19)9-17(13)20/h3-4,7-9H,5-6,10,19H2,1-2H3
InChIKeyGAVJQHNTOOKBPV-UHFFFAOYSA-N
XLogP4.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 54.10
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-[(2-chloro-4-methylphenyl)methyl]-2,3-dihydroindol-5-amine
CID 106864189
1-[(3,4-dichlorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 83213196
1-[(2-chloro-4-methylphenyl)methyl]-2,3-dihydroindole-5-carboxylic acid
CID 106865343
1-[(2-chloro-3-fluorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 115983059
1-[(2-bromophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 83212879
3-chloro-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
CID 63405916
1-(1-benzothiophen-3-ylmethyl)-5-methyl-2,3-dihydroindol-6-amine
CID 83211596
1-[(3-bromothiophen-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 83212288
5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine
CID 83213449
1-[(3-bromo-4-fluorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 83213115
2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)acetamide
CID 83213541
1-[(3-bromo-4-methoxyphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 83209891

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine?
The IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine (CID 106864235) is 1-[(2-chloro-4-methylphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-[(2-chloro-4-methylphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-[(2-chloro-4-methylphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine is Cc1ccc(CN2CCc3cc(C)c(N)cc32)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-methylphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine?
The InChIKey is GAVJQHNTOOKBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2/c1-11-3-4-14(15(18)7-11)10-20-6-5-13-8-12(2)16(19)9-17(13)20/h3-4,7-9H,5-6,10,19H2,1-2H3.
What are the key properties of 1-[(2-chloro-4-methylphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine?
1-[(2-chloro-4-methylphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine has a molecular weight of 286.81 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-methylphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine is sourced from PubChem (CID 106864235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).