N-[(3,4-dichlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine

C18H19Cl2N — CID 65404174

IUPACN-[(3,4-dichlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(Cl)c1)C1CCc2ccccc21
InChIInChI=1S/C18H19Cl2N/c1-2-21-18(13-8-10-16(19)17(20)11-13)15-9-7-12-5-3-4-6-14(12)15/h3-6,8,10-11,15,18,21H,2,7,9H2,1H3
InChIKeyRZIJTVIYXUWFSH-UHFFFAOYSA-N
MW320.26 g/mol
LogP5.37
Rot. Bonds4

About N-[(3,4-dichlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine

N-[(3,4-dichlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine (PubChem CID 65404174) has the molecular formula C18H19Cl2N and a molecular weight of 320.26 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine
PubChem CID65404174
Molecular FormulaC18H19Cl2N
Molecular Weight320.26 g/mol
Exact Mass319.09
IUPAC NameN-[(3,4-dichlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(Cl)c1)C1CCc2ccccc21
InChIInChI=1S/C18H19Cl2N/c1-2-21-18(13-8-10-16(19)17(20)11-13)15-9-7-12-5-3-4-6-14(12)15/h3-6,8,10-11,15,18,21H,2,7,9H2,1H3
InChIKeyRZIJTVIYXUWFSH-UHFFFAOYSA-N
XLogP5.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.26
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3,4-dichlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine
CID 65405344
N-[2,3-dihydro-1H-inden-1-yl-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 65403782
N-[2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methyl]ethanamine
CID 65404758
(3,4-dichlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methanamine
CID 65403370
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 66394948
N-[(3,4-dichlorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]ethanamine
CID 105077126
N-[2,3-dihydro-1H-inden-1-yl-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103130973
N-[(4-bromophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine
CID 63509295
N-[2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methyl]propan-1-amine
CID 65404182
N-[2,3-dihydro-1H-inden-1-yl-(3-methyltriazol-4-yl)methyl]ethanamine
CID 114688144
1-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 81491760
N-[(3,4-dichlorophenyl)-(4,4-dimethylcyclohexyl)methyl]ethanamine
CID 65392424

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine?
The IUPAC name of N-[(3,4-dichlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine (CID 65404174) is N-[(3,4-dichlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-dichlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine is CCNC(c1ccc(Cl)c(Cl)c1)C1CCc2ccccc21.
What is the InChIKey of N-[(3,4-dichlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine?
The InChIKey is RZIJTVIYXUWFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N/c1-2-21-18(13-8-10-16(19)17(20)11-13)15-9-7-12-5-3-4-6-14(12)15/h3-6,8,10-11,15,18,21H,2,7,9H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine?
N-[(3,4-dichlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine has a molecular weight of 320.26 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine is sourced from PubChem (CID 65404174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).