N-[[2-[(2,6-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine

C18H23Cl2N — CID 63522182

IUPACN-[[2-[(2,6-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
SMILESClc1cccc(Cl)c1CC1(CNC2CC2)CC2CCC1C2
InChIInChI=1S/C18H23Cl2N/c19-16-2-1-3-17(20)15(16)10-18(11-21-14-6-7-14)9-12-4-5-13(18)8-12/h1-3,12-14,21H,4-11H2
InChIKeyGHIUZIUJDOVUOY-UHFFFAOYSA-N
MW324.29 g/mol
LogP5.09
Rot. Bonds5

About N-[[2-[(2,6-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine

N-[[2-[(2,6-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine (PubChem CID 63522182) has the molecular formula C18H23Cl2N and a molecular weight of 324.29 g/mol. Its IUPAC name is N-[[2-[(2,6-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(2,6-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
PubChem CID63522182
Molecular FormulaC18H23Cl2N
Molecular Weight324.29 g/mol
Exact Mass323.12
IUPAC NameN-[[2-[(2,6-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
SMILESClc1cccc(Cl)c1CC1(CNC2CC2)CC2CCC1C2
InChIInChI=1S/C18H23Cl2N/c19-16-2-1-3-17(20)15(16)10-18(11-21-14-6-7-14)9-12-4-5-13(18)8-12/h1-3,12-14,21H,4-11H2
InChIKeyGHIUZIUJDOVUOY-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.29
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-[(2-chloro-3-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 115984206
N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 63522529
N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 63521474
N-[[2-(phenylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 102940477
N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 63775029
N-[[2-[(2,6-difluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 114933522
N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 63521653
N-[[2-[(3-chlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine
CID 63522034
1-[2-[(2,4-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine
CID 55197369
1-[2-[(2-chloro-4-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine
CID 106869493
N-methyl-1-[2-(naphthalen-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 63520754
N-[(2,6-dichlorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64741298

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,6-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(2,6-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine (CID 63522182) is N-[[2-[(2,6-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(2,6-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(2,6-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine is Clc1cccc(Cl)c1CC1(CNC2CC2)CC2CCC1C2.
What is the InChIKey of N-[[2-[(2,6-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
The InChIKey is GHIUZIUJDOVUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N/c19-16-2-1-3-17(20)15(16)10-18(11-21-14-6-7-14)9-12-4-5-13(18)8-12/h1-3,12-14,21H,4-11H2.
What are the key properties of N-[[2-[(2,6-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
N-[[2-[(2,6-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine has a molecular weight of 324.29 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,6-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine is sourced from PubChem (CID 63522182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).