N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-methylpropan-1-amine

C21H25ClN2 — CID 17157762

IUPACN-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-methylpropan-1-amine
SMILESCc1c(CNCC(C)C)c2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C21H25ClN2/c1-15(2)12-23-13-19-16(3)24(21-11-7-5-9-18(19)21)14-17-8-4-6-10-20(17)22/h4-11,15,23H,12-14H2,1-3H3
InChIKeyQHDHALYOAHYESR-UHFFFAOYSA-N
MW340.90 g/mol
LogP5.40
Rot. Bonds6

About N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-methylpropan-1-amine

N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 17157762) has the molecular formula C21H25ClN2 and a molecular weight of 340.90 g/mol. Its IUPAC name is N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID17157762
Molecular FormulaC21H25ClN2
Molecular Weight340.90 g/mol
Exact Mass340.17
IUPAC NameN-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-methylpropan-1-amine
SMILESCc1c(CNCC(C)C)c2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C21H25ClN2/c1-15(2)12-23-13-19-16(3)24(21-11-7-5-9-18(19)21)14-17-8-4-6-10-20(17)22/h4-11,15,23H,12-14H2,1-3H3
InChIKeyQHDHALYOAHYESR-UHFFFAOYSA-N
XLogP5.40
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.90
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-methylpropan-1-amine (CID 17157762) is N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-methylpropan-1-amine is Cc1c(CNCC(C)C)c2ccccc2n1Cc1ccccc1Cl.
What is the InChIKey of N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is QHDHALYOAHYESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2/c1-15(2)12-23-13-19-16(3)24(21-11-7-5-9-18(19)21)14-17-8-4-6-10-20(17)22/h4-11,15,23H,12-14H2,1-3H3.
What are the key properties of N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 340.90 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 17157762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).