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

C18H19Cl2N — CID 65411327

IUPACN-[(2,3-dichlorophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1Cl)C1Cc2ccccc2C1
InChIInChI=1S/C18H19Cl2N/c1-2-21-18(15-8-5-9-16(19)17(15)20)14-10-12-6-3-4-7-13(12)11-14/h3-9,14,18,21H,2,10-11H2,1H3
InChIKeyDIBCHJJZRHHZSU-UHFFFAOYSA-N
MW320.26 g/mol
LogP5.06
Rot. Bonds4

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

N-[(2,3-dichlorophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine (PubChem CID 65411327) has the molecular formula C18H19Cl2N and a molecular weight of 320.26 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine
PubChem CID65411327
Molecular FormulaC18H19Cl2N
Molecular Weight320.26 g/mol
Exact Mass319.09
IUPAC NameN-[(2,3-dichlorophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1Cl)C1Cc2ccccc2C1
InChIInChI=1S/C18H19Cl2N/c1-2-21-18(15-8-5-9-16(19)17(15)20)14-10-12-6-3-4-7-13(12)11-14/h3-9,14,18,21H,2,10-11H2,1H3
InChIKeyDIBCHJJZRHHZSU-UHFFFAOYSA-N
XLogP5.06
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 ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclobutyl-(2,3-dichlorophenyl)methyl]ethanamine
CID 64986692
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 105003608
N-[bis(2,3-dichlorophenyl)methyl]ethanamine
CID 115851351
N-[(2,5-dibromophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine
CID 106892710
[(2-chlorophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]hydrazine
CID 105234082
N-[2,3-dihydro-1H-inden-2-yl(furan-2-yl)methyl]ethanamine
CID 65411125
N-[(2,3-dichlorophenyl)-(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79093846
N-[(3-chloro-2-fluorophenyl)-cyclohexylmethyl]ethanamine
CID 64712638
N-[(2-chlorophenyl)-(4,4-difluorocyclohexyl)methyl]ethanamine
CID 105099639
2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 63415143
1-(2,3-dichlorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 115851288
N-[(2,3-dichlorophenyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 65330313

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2,3-dichlorophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine (CID 65411327) is N-[(2,3-dichlorophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,3-dichlorophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine is CCNC(c1cccc(Cl)c1Cl)C1Cc2ccccc2C1.
What is the InChIKey of N-[(2,3-dichlorophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine?
The InChIKey is DIBCHJJZRHHZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N/c1-2-21-18(15-8-5-9-16(19)17(15)20)14-10-12-6-3-4-7-13(12)11-14/h3-9,14,18,21H,2,10-11H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine?
N-[(2,3-dichlorophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine has a molecular weight of 320.26 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine is sourced from PubChem (CID 65411327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).