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

C18H22N2 — CID 62094945

IUPAC1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(3-methylphenyl)methyl]methanamine
SMILESCc1cccc(CNCc2ccc3c(c2)CCN3C)c1
InChIInChI=1S/C18H22N2/c1-14-4-3-5-15(10-14)12-19-13-16-6-7-18-17(11-16)8-9-20(18)2/h3-7,10-11,19H,8-9,12-13H2,1-2H3
InChIKeyILICVOWHZVXXBW-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.28
Rot. Bonds4

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

1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(3-methylphenyl)methyl]methanamine (PubChem CID 62094945) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(3-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(3-methylphenyl)methyl]methanamine
PubChem CID62094945
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(3-methylphenyl)methyl]methanamine
SMILESCc1cccc(CNCc2ccc3c(c2)CCN3C)c1
InChIInChI=1S/C18H22N2/c1-14-4-3-5-15(10-14)12-19-13-16-6-7-18-17(11-16)8-9-20(18)2/h3-7,10-11,19H,8-9,12-13H2,1-2H3
InChIKeyILICVOWHZVXXBW-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.28
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

N-[(2-chlorophenyl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 62097009
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 102673240
1-(1-methyl-2,3-dihydroindol-5-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 63247710
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine
CID 62096654
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
3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904073
1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 55204405
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 62095155
2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine
CID 115756694
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 62066674
N-methoxy-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 82706033

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(3-methylphenyl)methyl]methanamine?
The IUPAC name of 1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(3-methylphenyl)methyl]methanamine (CID 62094945) is 1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(3-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(3-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(3-methylphenyl)methyl]methanamine is Cc1cccc(CNCc2ccc3c(c2)CCN3C)c1.
What is the InChIKey of 1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(3-methylphenyl)methyl]methanamine?
The InChIKey is ILICVOWHZVXXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-14-4-3-5-15(10-14)12-19-13-16-6-7-18-17(11-16)8-9-20(18)2/h3-7,10-11,19H,8-9,12-13H2,1-2H3.
What are the key properties of 1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(3-methylphenyl)methyl]methanamine?
1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(3-methylphenyl)methyl]methanamine has a molecular weight of 266.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(3-methylphenyl)methyl]methanamine is sourced from PubChem (CID 62094945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).