N-[[2-(2,6-dichlorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine

C18H23Cl2N — CID 65003222

IUPACN-[[2-(2,6-dichlorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine
SMILESClc1cccc(Cl)c1C1(CNC2CC2)CC2(CCCC2)C1
InChIInChI=1S/C18H23Cl2N/c19-14-4-3-5-15(20)16(14)18(12-21-13-6-7-13)10-17(11-18)8-1-2-9-17/h3-5,13,21H,1-2,6-12H2
InChIKeySIHIOKZGAADRRA-UHFFFAOYSA-N
MW324.30 g/mol
LogP5.34
Rot. Bonds4

About N-[[2-(2,6-dichlorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine

N-[[2-(2,6-dichlorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine (PubChem CID 65003222) has the molecular formula C18H23Cl2N and a molecular weight of 324.30 g/mol. Its IUPAC name is N-[[2-(2,6-dichlorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2,6-dichlorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine
PubChem CID65003222
Molecular FormulaC18H23Cl2N
Molecular Weight324.30 g/mol
Exact Mass323.12
IUPAC NameN-[[2-(2,6-dichlorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine
SMILESClc1cccc(Cl)c1C1(CNC2CC2)CC2(CCCC2)C1
InChIInChI=1S/C18H23Cl2N/c19-14-4-3-5-15(20)16(14)18(12-21-13-6-7-13)10-17(11-18)8-1-2-9-17/h3-5,13,21H,1-2,6-12H2
InChIKeySIHIOKZGAADRRA-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.30
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-(2,6-dichlorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine 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-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008548
N-[[5-(3-chloro-2-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 82806742
N-[[2-(3-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009010
N-[[2-(3,4-dichlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009127
N-[[2-(3-fluorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine
CID 65002883
N-[[1-(2-chlorophenyl)cycloheptyl]methyl]cyclopropanamine
CID 63516646
N-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008821
N-[[2-(3-bromophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009612
N-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]cyclopropanamine
CID 82805310
N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009606
N-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008495
N-[[1-[(2-chlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 62723797

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,6-dichlorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2,6-dichlorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine (CID 65003222) is N-[[2-(2,6-dichlorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2,6-dichlorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2,6-dichlorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine is Clc1cccc(Cl)c1C1(CNC2CC2)CC2(CCCC2)C1.
What is the InChIKey of N-[[2-(2,6-dichlorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine?
The InChIKey is SIHIOKZGAADRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N/c19-14-4-3-5-15(20)16(14)18(12-21-13-6-7-13)10-17(11-18)8-1-2-9-17/h3-5,13,21H,1-2,6-12H2.
What are the key properties of N-[[2-(2,6-dichlorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine?
N-[[2-(2,6-dichlorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine has a molecular weight of 324.30 g/mol, XLogP of 5.34, 4 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)spiro[3.4]octan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65003222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).