N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]cyclopropanamine

C11H12ClNO2 — CID 43087529

IUPACN-[(7-chloro-1,3-benzodioxol-5-yl)methyl]cyclopropanamine
SMILESClc1cc(CNC2CC2)cc2c1OCO2
InChIInChI=1S/C11H12ClNO2/c12-9-3-7(5-13-8-1-2-8)4-10-11(9)15-6-14-10/h3-4,8,13H,1-2,5-6H2
InChIKeyDPVTUGQGCNMSAW-UHFFFAOYSA-N
MW225.67 g/mol
LogP2.32
Rot. Bonds3

About N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]cyclopropanamine

N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]cyclopropanamine (PubChem CID 43087529) has the molecular formula C11H12ClNO2 and a molecular weight of 225.67 g/mol. Its IUPAC name is N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(7-chloro-1,3-benzodioxol-5-yl)methyl]cyclopropanamine
PubChem CID43087529
Molecular FormulaC11H12ClNO2
Molecular Weight225.67 g/mol
Exact Mass225.06
IUPAC NameN-[(7-chloro-1,3-benzodioxol-5-yl)methyl]cyclopropanamine
SMILESClc1cc(CNC2CC2)cc2c1OCO2
InChIInChI=1S/C11H12ClNO2/c12-9-3-7(5-13-8-1-2-8)4-10-11(9)15-6-14-10/h3-4,8,13H,1-2,5-6H2
InChIKeyDPVTUGQGCNMSAW-UHFFFAOYSA-N
XLogP2.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.67
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-ethylcyclohexan-1-amine
CID 63454425
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]cyclopentanamine
CID 43087524
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]cyclooctanamine
CID 43217019
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]cyclohexanamine
CID 43216998
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-ethylcyclohexan-1-amine
CID 63454424
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-ethylpiperidin-3-amine
CID 61169201
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80715688
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]oxan-3-amine
CID 63360473
4-[[(7-chloro-1,3-benzodioxol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 106126426
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2-cyclopentyloxyethanamine
CID 63825313
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-methylcyclohexan-1-amine
CID 103653357
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 63464221

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]cyclopropanamine (CID 43087529) is N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]cyclopropanamine is Clc1cc(CNC2CC2)cc2c1OCO2.
What is the InChIKey of N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]cyclopropanamine?
The InChIKey is DPVTUGQGCNMSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c12-9-3-7(5-13-8-1-2-8)4-10-11(9)15-6-14-10/h3-4,8,13H,1-2,5-6H2.
What are the key properties of N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]cyclopropanamine?
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]cyclopropanamine has a molecular weight of 225.67 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 43087529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).