N-[[4-(2-ethylphenoxy)-3-methylphenyl]methyl]cyclopropanamine

C19H23NO — CID 63550904

IUPACN-[[4-(2-ethylphenoxy)-3-methylphenyl]methyl]cyclopropanamine
SMILESCCc1ccccc1Oc1ccc(CNC2CC2)cc1C
InChIInChI=1S/C19H23NO/c1-3-16-6-4-5-7-19(16)21-18-11-8-15(12-14(18)2)13-20-17-9-10-17/h4-8,11-12,17,20H,3,9-10,13H2,1-2H3
InChIKeyYGCCJMFHZXLTRP-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.60
Rot. Bonds6

About N-[[4-(2-ethylphenoxy)-3-methylphenyl]methyl]cyclopropanamine

N-[[4-(2-ethylphenoxy)-3-methylphenyl]methyl]cyclopropanamine (PubChem CID 63550904) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[4-(2-ethylphenoxy)-3-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2-ethylphenoxy)-3-methylphenyl]methyl]cyclopropanamine
PubChem CID63550904
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[[4-(2-ethylphenoxy)-3-methylphenyl]methyl]cyclopropanamine
SMILESCCc1ccccc1Oc1ccc(CNC2CC2)cc1C
InChIInChI=1S/C19H23NO/c1-3-16-6-4-5-7-19(16)21-18-11-8-15(12-14(18)2)13-20-17-9-10-17/h4-8,11-12,17,20H,3,9-10,13H2,1-2H3
InChIKeyYGCCJMFHZXLTRP-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 43314359
[4-(2-ethylphenoxy)-3-methylphenyl]methanol
CID 62125436
N-[[4-(2-chloro-5-methylphenoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 63550539
N-[[4-(4-bromo-2-chlorophenoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 63553129
N-[[3-(2-bromophenoxy)-4-methylphenyl]methyl]cyclopropanamine
CID 105406447
N-[[2-(2,3,5-trimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283592
N-[[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 107659574
N-[[2-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 107659667
4-[(4-methoxy-3-methylphenyl)methylamino]cyclohexan-1-ol
CID 43233134
N-[[2-(2-methoxy-4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 43282262
N-[[3-methyl-4-(2-methylphenoxy)phenyl]methyl]ethanamine
CID 63552188
N-[[5-(2-ethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 80620035

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethylphenoxy)-3-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2-ethylphenoxy)-3-methylphenyl]methyl]cyclopropanamine (CID 63550904) is N-[[4-(2-ethylphenoxy)-3-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2-ethylphenoxy)-3-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2-ethylphenoxy)-3-methylphenyl]methyl]cyclopropanamine is CCc1ccccc1Oc1ccc(CNC2CC2)cc1C.
What is the InChIKey of N-[[4-(2-ethylphenoxy)-3-methylphenyl]methyl]cyclopropanamine?
The InChIKey is YGCCJMFHZXLTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-3-16-6-4-5-7-19(16)21-18-11-8-15(12-14(18)2)13-20-17-9-10-17/h4-8,11-12,17,20H,3,9-10,13H2,1-2H3.
What are the key properties of N-[[4-(2-ethylphenoxy)-3-methylphenyl]methyl]cyclopropanamine?
N-[[4-(2-ethylphenoxy)-3-methylphenyl]methyl]cyclopropanamine has a molecular weight of 281.40 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-ethylphenoxy)-3-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63550904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).