1-(2-chloro-4-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine

C19H22ClN — CID 106857743

IUPAC1-(2-chloro-4-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
SMILESCNC(Cc1ccc2c(c1)CCC2)c1ccc(C)cc1Cl
InChIInChI=1S/C19H22ClN/c1-13-6-9-17(18(20)10-13)19(21-2)12-14-7-8-15-4-3-5-16(15)11-14/h6-11,19,21H,3-5,12H2,1-2H3
InChIKeyCDUCSNHDTRPNIB-UHFFFAOYSA-N
MW299.85 g/mol
LogP4.64
Rot. Bonds4

About 1-(2-chloro-4-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine

1-(2-chloro-4-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine (PubChem CID 106857743) has the molecular formula C19H22ClN and a molecular weight of 299.85 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
PubChem CID106857743
Molecular FormulaC19H22ClN
Molecular Weight299.85 g/mol
Exact Mass299.14
IUPAC Name1-(2-chloro-4-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
SMILESCNC(Cc1ccc2c(c1)CCC2)c1ccc(C)cc1Cl
InChIInChI=1S/C19H22ClN/c1-13-6-9-17(18(20)10-13)19(21-2)12-14-7-8-15-4-3-5-16(15)11-14/h6-11,19,21H,3-5,12H2,1-2H3
InChIKeyCDUCSNHDTRPNIB-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115864882
1-(2-bromo-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115865099
1-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63507191
2-(2,3-dihydro-1H-inden-5-yl)-1-(2,4-dimethylphenyl)ethanamine
CID 115864870
1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115865010
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115864830
[1-(5-bromo-2-chlorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
CID 105310671
1-(2-chloro-4-methylphenyl)-N-methylbut-3-yn-1-amine
CID 106856847
1-(2-chloro-4-methylphenyl)-3-ethyl-N-methylpentan-1-amine
CID 106858447
2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylaniline
CID 107634326
1-(4-bromo-2-chlorophenyl)-2-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107892172
2-(3-chloro-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106858929

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine (CID 106857743) is 1-(2-chloro-4-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine is CNC(Cc1ccc2c(c1)CCC2)c1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine?
The InChIKey is CDUCSNHDTRPNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN/c1-13-6-9-17(18(20)10-13)19(21-2)12-14-7-8-15-4-3-5-16(15)11-14/h6-11,19,21H,3-5,12H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine?
1-(2-chloro-4-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine has a molecular weight of 299.85 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine is sourced from PubChem (CID 106857743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).