N-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine

C16H19Cl2N — CID 65008548

IUPACN-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
SMILESClc1cccc(Cl)c1C1(CNC2CC2)CC2(CC2)C1
InChIInChI=1S/C16H19Cl2N/c17-12-2-1-3-13(18)14(12)16(10-19-11-4-5-11)8-15(9-16)6-7-15/h1-3,11,19H,4-10H2
InChIKeyNQZGFHZBZZAGIL-UHFFFAOYSA-N
MW296.24 g/mol
LogP4.56
Rot. Bonds4

About N-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine

N-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine (PubChem CID 65008548) has the molecular formula C16H19Cl2N and a molecular weight of 296.24 g/mol. Its IUPAC name is N-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
PubChem CID65008548
Molecular FormulaC16H19Cl2N
Molecular Weight296.24 g/mol
Exact Mass295.09
IUPAC NameN-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
SMILESClc1cccc(Cl)c1C1(CNC2CC2)CC2(CC2)C1
InChIInChI=1S/C16H19Cl2N/c17-12-2-1-3-13(18)14(12)16(10-19-11-4-5-11)8-15(9-16)6-7-15/h1-3,11,19H,4-10H2
InChIKeyNQZGFHZBZZAGIL-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(2,6-dichlorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine
CID 65003222
N-[[5-(3-chloro-2-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 82806742
N-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008821
N-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008495
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-[[1-(2-chlorophenyl)cycloheptyl]methyl]cyclopropanamine
CID 63516646
N-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]cyclopropanamine
CID 82805310
N-[[5-(4-tert-butylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008561
N-[[2-(3-bromophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009612
N-[[2-(3-fluorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine
CID 65002883
N-[[1-(2,6-dichlorophenyl)-2-ethylcyclopropyl]methyl]cyclopropanamine
CID 113404780

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine (CID 65008548) is N-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine is Clc1cccc(Cl)c1C1(CNC2CC2)CC2(CC2)C1.
What is the InChIKey of N-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine?
The InChIKey is NQZGFHZBZZAGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N/c17-12-2-1-3-13(18)14(12)16(10-19-11-4-5-11)8-15(9-16)6-7-15/h1-3,11,19H,4-10H2.
What are the key properties of N-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine?
N-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine has a molecular weight of 296.24 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65008548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).