N-[[2-(2,3,5-trimethylphenoxy)phenyl]methyl]cyclopropanamine

C19H23NO — CID 43283592

IUPACN-[[2-(2,3,5-trimethylphenoxy)phenyl]methyl]cyclopropanamine
SMILESCc1cc(C)c(C)c(Oc2ccccc2CNC2CC2)c1
InChIInChI=1S/C19H23NO/c1-13-10-14(2)15(3)19(11-13)21-18-7-5-4-6-16(18)12-20-17-8-9-17/h4-7,10-11,17,20H,8-9,12H2,1-3H3
InChIKeyIWDWGEUHYOYUNQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.66
Rot. Bonds5

About N-[[2-(2,3,5-trimethylphenoxy)phenyl]methyl]cyclopropanamine

N-[[2-(2,3,5-trimethylphenoxy)phenyl]methyl]cyclopropanamine (PubChem CID 43283592) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[2-(2,3,5-trimethylphenoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2,3,5-trimethylphenoxy)phenyl]methyl]cyclopropanamine
PubChem CID43283592
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[[2-(2,3,5-trimethylphenoxy)phenyl]methyl]cyclopropanamine
SMILESCc1cc(C)c(C)c(Oc2ccccc2CNC2CC2)c1
InChIInChI=1S/C19H23NO/c1-13-10-14(2)15(3)19(11-13)21-18-7-5-4-6-16(18)12-20-17-8-9-17/h4-7,10-11,17,20H,8-9,12H2,1-3H3
InChIKeyIWDWGEUHYOYUNQ-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-methoxy-4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 43282262
N-[[2-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 107659667
N-[[4-(2-ethylphenoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 63550904
N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 43314359
N-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62452512
N-[[2-[(2,4-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62453998
N-[[4-(2,3-dimethylphenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 63551432
N-[[2-chloro-6-(2,3-dimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43282801
N-[[2-(3-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283337
N-[[6-(2,3,5-trimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66451411
N-[[2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]cyclopropanamine
CID 43283536
N-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 114857170

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3,5-trimethylphenoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2,3,5-trimethylphenoxy)phenyl]methyl]cyclopropanamine (CID 43283592) is N-[[2-(2,3,5-trimethylphenoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2,3,5-trimethylphenoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2,3,5-trimethylphenoxy)phenyl]methyl]cyclopropanamine is Cc1cc(C)c(C)c(Oc2ccccc2CNC2CC2)c1.
What is the InChIKey of N-[[2-(2,3,5-trimethylphenoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is IWDWGEUHYOYUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-13-10-14(2)15(3)19(11-13)21-18-7-5-4-6-16(18)12-20-17-8-9-17/h4-7,10-11,17,20H,8-9,12H2,1-3H3.
What are the key properties of N-[[2-(2,3,5-trimethylphenoxy)phenyl]methyl]cyclopropanamine?
N-[[2-(2,3,5-trimethylphenoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 281.40 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3,5-trimethylphenoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 43283592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).