N-[[1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine

C16H22Cl2N2 — CID 107306708

IUPACN-[[1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine
SMILESClc1cccc(CN2CCCCC2CNC2CC2)c1Cl
InChIInChI=1S/C16H22Cl2N2/c17-15-6-3-4-12(16(15)18)11-20-9-2-1-5-14(20)10-19-13-7-8-13/h3-4,6,13-14,19H,1-2,5,7-11H2
InChIKeyDJILRJFAOGBPEL-UHFFFAOYSA-N
MW313.27 g/mol
LogP4.10
Rot. Bonds5

About N-[[1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine

N-[[1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine (PubChem CID 107306708) has the molecular formula C16H22Cl2N2 and a molecular weight of 313.27 g/mol. Its IUPAC name is N-[[1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine
PubChem CID107306708
Molecular FormulaC16H22Cl2N2
Molecular Weight313.27 g/mol
Exact Mass312.12
IUPAC NameN-[[1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine
SMILESClc1cccc(CN2CCCCC2CNC2CC2)c1Cl
InChIInChI=1S/C16H22Cl2N2/c17-15-6-3-4-12(16(15)18)11-20-9-2-1-5-14(20)10-19-13-7-8-13/h3-4,6,13-14,19H,1-2,5,7-11H2
InChIKeyDJILRJFAOGBPEL-UHFFFAOYSA-N
XLogP4.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-[(2,3-dichlorophenyl)methyl]piperidin-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-[[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine
CID 62579866
N-[[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 65317442
1-[(2,3-dichlorophenyl)methyl]-2-methylpyrrolidine
CID 141023901
N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
CID 46835187
1-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119928352
1-[(2,3-dichlorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidine
CID 66634297
N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62579502
N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine
CID 62580232
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62581996
[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 43187060
1-[(2,3-dichlorophenyl)methyl]azetidine
CID 131042479
2-[(2,3-dichlorophenyl)methylamino]cyclohexan-1-ol
CID 60612644

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine (CID 107306708) is N-[[1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine is Clc1cccc(CN2CCCCC2CNC2CC2)c1Cl.
What is the InChIKey of N-[[1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine?
The InChIKey is DJILRJFAOGBPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2/c17-15-6-3-4-12(16(15)18)11-20-9-2-1-5-14(20)10-19-13-7-8-13/h3-4,6,13-14,19H,1-2,5,7-11H2.
What are the key properties of N-[[1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine?
N-[[1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine has a molecular weight of 313.27 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107306708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).