N-[[2-(2,4-dimethoxyphenyl)phenyl]methyl]cyclopropanamine

C18H21NO2 — CID 61034434

IUPACN-[[2-(2,4-dimethoxyphenyl)phenyl]methyl]cyclopropanamine
SMILESCOc1ccc(-c2ccccc2CNC2CC2)c(OC)c1
InChIInChI=1S/C18H21NO2/c1-20-15-9-10-17(18(11-15)21-2)16-6-4-3-5-13(16)12-19-14-7-8-14/h3-6,9-11,14,19H,7-8,12H2,1-2H3
InChIKeyABSBBOQFSFIYIA-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.62
Rot. Bonds6

About N-[[2-(2,4-dimethoxyphenyl)phenyl]methyl]cyclopropanamine

N-[[2-(2,4-dimethoxyphenyl)phenyl]methyl]cyclopropanamine (PubChem CID 61034434) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[[2-(2,4-dimethoxyphenyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2,4-dimethoxyphenyl)phenyl]methyl]cyclopropanamine
PubChem CID61034434
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[[2-(2,4-dimethoxyphenyl)phenyl]methyl]cyclopropanamine
SMILESCOc1ccc(-c2ccccc2CNC2CC2)c(OC)c1
InChIInChI=1S/C18H21NO2/c1-20-15-9-10-17(18(11-15)21-2)16-6-4-3-5-13(16)12-19-14-7-8-14/h3-6,9-11,14,19H,7-8,12H2,1-2H3
InChIKeyABSBBOQFSFIYIA-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[[3-(2,4-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106887054
N-[[2-(2-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 62801536
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442
N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine
CID 62801628
N-[[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 53271892
N-[[2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]cyclopropanamine
CID 115484384
N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
CID 43163816
N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine
CID 43276489
N-[(4-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopropanamine
CID 61267827

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4-dimethoxyphenyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2,4-dimethoxyphenyl)phenyl]methyl]cyclopropanamine (CID 61034434) is N-[[2-(2,4-dimethoxyphenyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2,4-dimethoxyphenyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2,4-dimethoxyphenyl)phenyl]methyl]cyclopropanamine is COc1ccc(-c2ccccc2CNC2CC2)c(OC)c1.
What is the InChIKey of N-[[2-(2,4-dimethoxyphenyl)phenyl]methyl]cyclopropanamine?
The InChIKey is ABSBBOQFSFIYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-20-15-9-10-17(18(11-15)21-2)16-6-4-3-5-13(16)12-19-14-7-8-14/h3-6,9-11,14,19H,7-8,12H2,1-2H3.
What are the key properties of N-[[2-(2,4-dimethoxyphenyl)phenyl]methyl]cyclopropanamine?
N-[[2-(2,4-dimethoxyphenyl)phenyl]methyl]cyclopropanamine has a molecular weight of 283.37 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,4-dimethoxyphenyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 61034434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).