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

C12H18ClNO2 — CID 17295654

IUPACN-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
SMILESCOc1cccc(CNC2CC2)c1OC.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-14-11-5-3-4-9(12(11)15-2)8-13-10-6-7-10;/h3-5,10,13H,6-8H2,1-2H3;1H
InChIKeyOIVYLUCFKOLKKT-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.38
Rot. Bonds5

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

N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride (PubChem CID 17295654) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
PubChem CID17295654
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
SMILESCOc1cccc(CNC2CC2)c1OC.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-14-11-5-3-4-9(12(11)15-2)8-13-10-6-7-10;/h3-5,10,13H,6-8H2,1-2H3;1H
InChIKeyOIVYLUCFKOLKKT-UHFFFAOYSA-N
XLogP2.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
N-[(2,3-dimethoxyphenyl)methyl]thian-4-amine
CID 115584763
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine
CID 103081816
N-[[3-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365555
N-[[2-(2-fluoroethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 80698601
N-[(2,3-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine
CID 28718160
N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
CID 4717334
trans-(1S,2S)-2-[(2,3-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 94414022
4-[(3-ethoxy-2-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 43220624
(3R)-N-[(2,3-dimethoxyphenyl)methyl]oxan-3-amine
CID 95986911
1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol
CID 63931067
N-[[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43472080

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride (CID 17295654) is N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride is COc1cccc(CNC2CC2)c1OC.Cl.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride?
The InChIKey is OIVYLUCFKOLKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c1-14-11-5-3-4-9(12(11)15-2)8-13-10-6-7-10;/h3-5,10,13H,6-8H2,1-2H3;1H.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride?
N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride has a molecular weight of 243.73 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride is sourced from PubChem (CID 17295654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).