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

C16H17ClN2 — CID 106864189

IUPAC1-[(2-chloro-4-methylphenyl)methyl]-2,3-dihydroindol-5-amine
SMILESCc1ccc(CN2CCc3cc(N)ccc32)c(Cl)c1
InChIInChI=1S/C16H17ClN2/c1-11-2-3-13(15(17)8-11)10-19-7-6-12-9-14(18)4-5-16(12)19/h2-5,8-9H,6-7,10,18H2,1H3
InChIKeyUHGUMPFRPALTAG-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.79
Rot. Bonds2

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

1-[(2-chloro-4-methylphenyl)methyl]-2,3-dihydroindol-5-amine (PubChem CID 106864189) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 1-[(2-chloro-4-methylphenyl)methyl]-2,3-dihydroindol-5-amine.

Molecular Properties

Compound Name1-[(2-chloro-4-methylphenyl)methyl]-2,3-dihydroindol-5-amine
PubChem CID106864189
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name1-[(2-chloro-4-methylphenyl)methyl]-2,3-dihydroindol-5-amine
SMILESCc1ccc(CN2CCc3cc(N)ccc32)c(Cl)c1
InChIInChI=1S/C16H17ClN2/c1-11-2-3-13(15(17)8-11)10-19-7-6-12-9-14(18)4-5-16(12)19/h2-5,8-9H,6-7,10,18H2,1H3
InChIKeyUHGUMPFRPALTAG-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
CID 63405916
1-[(2-chloro-4-methylphenyl)methyl]-2,3-dihydroindole-5-carboxylic acid
CID 106865343
1-[(2-chloro-4-methylphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 106864235
6-amino-1-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one
CID 106863380
1-[(2-chloro-4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 106865555
2-(2-chloro-4-methylphenyl)-1,3-dihydroisoindol-5-amine
CID 43370216
1-[(2-chloro-4-methylphenyl)methyl]indol-6-amine
CID 106863378
1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-5-amine
CID 66362726
1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperazine
CID 121478180
1-(2,2-difluoroethyl)-2,3-dihydroindol-5-amine
CID 60923081
4-[(6-amino-2,3-dihydroindol-1-yl)methyl]-3-methylbenzonitrile
CID 114484217
1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroindol-6-amine
CID 102856206

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-2,3-dihydroindol-5-amine?
The IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-2,3-dihydroindol-5-amine (CID 106864189) is 1-[(2-chloro-4-methylphenyl)methyl]-2,3-dihydroindol-5-amine.
What is the SMILES notation for 1-[(2-chloro-4-methylphenyl)methyl]-2,3-dihydroindol-5-amine?
The canonical SMILES for 1-[(2-chloro-4-methylphenyl)methyl]-2,3-dihydroindol-5-amine is Cc1ccc(CN2CCc3cc(N)ccc32)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-methylphenyl)methyl]-2,3-dihydroindol-5-amine?
The InChIKey is UHGUMPFRPALTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c1-11-2-3-13(15(17)8-11)10-19-7-6-12-9-14(18)4-5-16(12)19/h2-5,8-9H,6-7,10,18H2,1H3.
What are the key properties of 1-[(2-chloro-4-methylphenyl)methyl]-2,3-dihydroindol-5-amine?
1-[(2-chloro-4-methylphenyl)methyl]-2,3-dihydroindol-5-amine has a molecular weight of 272.78 g/mol, XLogP of 3.79, 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]-2,3-dihydroindol-5-amine is sourced from PubChem (CID 106864189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).