N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride

C10H12Cl3N — CID 46835187

IUPACN-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
SMILESCl.Clc1cccc(CNC2CC2)c1Cl
InChIInChI=1S/C10H11Cl2N.ClH/c11-9-3-1-2-7(10(9)12)6-13-8-4-5-8;/h1-3,8,13H,4-6H2;1H
InChIKeyPSGVXVWMSBMJDZ-UHFFFAOYSA-N
MW252.57 g/mol
LogP3.67
Rot. Bonds3

About N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride

N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride (PubChem CID 46835187) has the molecular formula C10H12Cl3N and a molecular weight of 252.57 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
PubChem CID46835187
Molecular FormulaC10H12Cl3N
Molecular Weight252.57 g/mol
Exact Mass251.00
IUPAC NameN-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
SMILESCl.Clc1cccc(CNC2CC2)c1Cl
InChIInChI=1S/C10H11Cl2N.ClH/c11-9-3-1-2-7(10(9)12)6-13-8-4-5-8;/h1-3,8,13H,4-6H2;1H
InChIKeyPSGVXVWMSBMJDZ-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.57
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]oxan-4-amine
CID 43609707
N-[(2,3-dichlorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671641
1-[4-[(2,3-dichlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43224238
2-[(2,3-dichlorophenyl)methylamino]cyclohexan-1-ol
CID 60612644
N-[(2,3-dichlorophenyl)methyl]-1-methylpyrrolidin-3-amine
CID 61462296
N-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317453
N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 107305713
4-N-[(2-chlorophenyl)methyl]cyclohexane-1,4-diamine;hydrochloride
CID 66569865
(3S)-1-benzyl-N-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 30034860
N-[[1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine
CID 107306708
N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine
CID 81453825
N-[2-[(2,3-dichlorophenyl)methyl]-2-ethylbutyl]cyclopropanamine
CID 107309723

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride (CID 46835187) is N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride is Cl.Clc1cccc(CNC2CC2)c1Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride?
The InChIKey is PSGVXVWMSBMJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N.ClH/c11-9-3-1-2-7(10(9)12)6-13-8-4-5-8;/h1-3,8,13H,4-6H2;1H.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride?
N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride has a molecular weight of 252.57 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride is sourced from PubChem (CID 46835187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).