1-[(5-chloro-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-amine

C11H12ClNO2 — CID 117324426

IUPAC1-[(5-chloro-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2c(Cl)ccc3c2OCO3)CC1
InChIInChI=1S/C11H12ClNO2/c12-8-1-2-9-10(15-6-14-9)7(8)5-11(13)3-4-11/h1-2H,3-6,13H2
InChIKeyJWHJICRSNLXNPP-UHFFFAOYSA-N
MW225.67 g/mol
LogP2.10
Rot. Bonds2

About 1-[(5-chloro-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-amine

1-[(5-chloro-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-amine (PubChem CID 117324426) has the molecular formula C11H12ClNO2 and a molecular weight of 225.67 g/mol. Its IUPAC name is 1-[(5-chloro-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(5-chloro-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-amine
PubChem CID117324426
Molecular FormulaC11H12ClNO2
Molecular Weight225.67 g/mol
Exact Mass225.06
IUPAC Name1-[(5-chloro-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2c(Cl)ccc3c2OCO3)CC1
InChIInChI=1S/C11H12ClNO2/c12-8-1-2-9-10(15-6-14-9)7(8)5-11(13)3-4-11/h1-2H,3-6,13H2
InChIKeyJWHJICRSNLXNPP-UHFFFAOYSA-N
XLogP2.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.67
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chloro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine
CID 117324424
[1-(5-chloro-1,3-benzodioxol-4-yl)cyclopentyl]methanamine
CID 117387219
1-[(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-amine
CID 117338688
1-[(4-bromo-6-methyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine
CID 117456902
1-(4-chloro-1,3-benzodioxol-5-yl)cyclohexan-1-amine
CID 117387400
2-[1-(5-chloro-1,3-benzodioxol-4-yl)cyclopropyl]acetic acid
CID 117389740
5-[(1-aminocyclopropyl)methyl]-6-chloro-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117392338
5-chloro-4-(1-isocyanatocyclopropyl)-1,3-benzodioxole
CID 117347940
1-[(7-chloro-5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-amine
CID 117452712
[5-(5-chloro-1,3-benzodioxol-4-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117425247
1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropan-1-amine
CID 84773304
2-[(1-aminocyclopropyl)methyl]-4-chloro-3-methylphenol
CID 117302400

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(5-chloro-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-amine (CID 117324426) is 1-[(5-chloro-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(5-chloro-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(5-chloro-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-amine is NC1(Cc2c(Cl)ccc3c2OCO3)CC1.
What is the InChIKey of 1-[(5-chloro-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-amine?
The InChIKey is JWHJICRSNLXNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c12-8-1-2-9-10(15-6-14-9)7(8)5-11(13)3-4-11/h1-2H,3-6,13H2.
What are the key properties of 1-[(5-chloro-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-amine?
1-[(5-chloro-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-amine has a molecular weight of 225.67 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117324426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).