N-[(2-chlorophenyl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine

C17H19ClN2 — CID 62097009

IUPACN-[(2-chlorophenyl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
SMILESCN1CCc2cc(CNCc3ccccc3Cl)ccc21
InChIInChI=1S/C17H19ClN2/c1-20-9-8-14-10-13(6-7-17(14)20)11-19-12-15-4-2-3-5-16(15)18/h2-7,10,19H,8-9,11-12H2,1H3
InChIKeyJYLXNRCOIGBRJW-UHFFFAOYSA-N
MW286.81 g/mol
LogP3.62
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine

N-[(2-chlorophenyl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine (PubChem CID 62097009) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
PubChem CID62097009
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
SMILESCN1CCc2cc(CNCc3ccccc3Cl)ccc21
InChIInChI=1S/C17H19ClN2/c1-20-9-8-14-10-13(6-7-17(14)20)11-19-12-15-4-2-3-5-16(15)18/h2-7,10,19H,8-9,11-12H2,1H3
InChIKeyJYLXNRCOIGBRJW-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(3-methylphenyl)methyl]methanamine
CID 62094945
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine
CID 62096654
2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62094936
1-(1-methyl-2,3-dihydroindol-5-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 63247710
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine
CID 62070317
1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884310
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 62095490
3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904073
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-phenylacetamide
CID 110483038
1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 55204405
2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine
CID 115756694
N',N'-dimethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethane-1,2-diamine
CID 62072227

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine (CID 62097009) is N-[(2-chlorophenyl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine is CN1CCc2cc(CNCc3ccccc3Cl)ccc21.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine?
The InChIKey is JYLXNRCOIGBRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2/c1-20-9-8-14-10-13(6-7-17(14)20)11-19-12-15-4-2-3-5-16(15)18/h2-7,10,19H,8-9,11-12H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine?
N-[(2-chlorophenyl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine has a molecular weight of 286.81 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine is sourced from PubChem (CID 62097009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).