N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride

C12H18ClNO2 — CID 167726962

IUPACN-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
SMILESCOc1ccc(OC)c(CNC2CC2)c1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-14-11-5-6-12(15-2)9(7-11)8-13-10-3-4-10;/h5-7,10,13H,3-4,8H2,1-2H3;1H
InChIKeyVZSQCQHVSCPJOY-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.38
Rot. Bonds5

About N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride

N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride (PubChem CID 167726962) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
PubChem CID167726962
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
SMILESCOc1ccc(OC)c(CNC2CC2)c1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-14-11-5-6-12(15-2)9(7-11)8-13-10-3-4-10;/h5-7,10,13H,3-4,8H2,1-2H3;1H
InChIKeyVZSQCQHVSCPJOY-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-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
N-[(2,5-dimethoxyphenyl)methyl]thian-4-amine
CID 115578053
N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 115651792
N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine
CID 43276489
N'-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 112690313
N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365198
N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
CID 43276456
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442
N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 43244054
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 54935637
N-[(2,5-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine
CID 28718169
N-[[2-(2-ethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 82926714

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride (CID 167726962) is N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride is COc1ccc(OC)c(CNC2CC2)c1.Cl.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride?
The InChIKey is VZSQCQHVSCPJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c1-14-11-5-6-12(15-2)9(7-11)8-13-10-3-4-10;/h5-7,10,13H,3-4,8H2,1-2H3;1H.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride?
N-[(2,5-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-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride is sourced from PubChem (CID 167726962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).