N-[(2,5-dimethoxyphenyl)methyl]-1-methylcyclopropan-1-amine

C13H19NO2 — CID 115635129

IUPACN-[(2,5-dimethoxyphenyl)methyl]-1-methylcyclopropan-1-amine
SMILESCOc1ccc(OC)c(CNC2(C)CC2)c1
InChIInChI=1S/C13H19NO2/c1-13(6-7-13)14-9-10-8-11(15-2)4-5-12(10)16-3/h4-5,8,14H,6-7,9H2,1-3H3
InChIKeyJOYWFOWWRDOQHT-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.35
Rot. Bonds5

About N-[(2,5-dimethoxyphenyl)methyl]-1-methylcyclopropan-1-amine

N-[(2,5-dimethoxyphenyl)methyl]-1-methylcyclopropan-1-amine (PubChem CID 115635129) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-1-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-1-methylcyclopropan-1-amine
PubChem CID115635129
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-1-methylcyclopropan-1-amine
SMILESCOc1ccc(OC)c(CNC2(C)CC2)c1
InChIInChI=1S/C13H19NO2/c1-13(6-7-13)14-9-10-8-11(15-2)4-5-12(10)16-3/h4-5,8,14H,6-7,9H2,1-3H3
InChIKeyJOYWFOWWRDOQHT-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methoxynaphthalen-2-yl)methyl]-1-methylcyclopentan-1-amine
CID 61365160
1-(2,5-dimethoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80527898
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[(2,5-dimethoxyphenyl)methyl]butan-2-amine
CID 43177332
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
3-methoxy-4-[[(1-methylcyclobutyl)amino]methyl]aniline
CID 107208544
1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242210
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
[1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methanol
CID 115683825
N-[(2,5-dimethoxyphenyl)methyl]-4-propan-2-yloxyaniline
CID 39424379
N-[(2-bromo-4,6-dimethoxyphenyl)methyl]-1-(2,5-dimethoxyphenyl)methanamine
CID 71850610
4-amino-N-[(2,5-dimethoxyphenyl)methyl]oxane-4-carboxamide
CID 115294665

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-methylcyclopropan-1-amine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-methylcyclopropan-1-amine (CID 115635129) is N-[(2,5-dimethoxyphenyl)methyl]-1-methylcyclopropan-1-amine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-1-methylcyclopropan-1-amine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-1-methylcyclopropan-1-amine is COc1ccc(OC)c(CNC2(C)CC2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-1-methylcyclopropan-1-amine?
The InChIKey is JOYWFOWWRDOQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(6-7-13)14-9-10-8-11(15-2)4-5-12(10)16-3/h4-5,8,14H,6-7,9H2,1-3H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-1-methylcyclopropan-1-amine?
N-[(2,5-dimethoxyphenyl)methyl]-1-methylcyclopropan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.35, 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]-1-methylcyclopropan-1-amine is sourced from PubChem (CID 115635129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).