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

C19H23NO — CID 63551432

IUPACN-[[4-(2,3-dimethylphenoxy)-2-methylphenyl]methyl]cyclopropanamine
SMILESCc1cc(Oc2cccc(C)c2C)ccc1CNC1CC1
InChIInChI=1S/C19H23NO/c1-13-5-4-6-19(15(13)3)21-18-10-7-16(14(2)11-18)12-20-17-8-9-17/h4-7,10-11,17,20H,8-9,12H2,1-3H3
InChIKeyQYMDHLRPKHLTDV-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.66
Rot. Bonds5

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

N-[[4-(2,3-dimethylphenoxy)-2-methylphenyl]methyl]cyclopropanamine (PubChem CID 63551432) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[4-(2,3-dimethylphenoxy)-2-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2,3-dimethylphenoxy)-2-methylphenyl]methyl]cyclopropanamine
PubChem CID63551432
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[[4-(2,3-dimethylphenoxy)-2-methylphenyl]methyl]cyclopropanamine
SMILESCc1cc(Oc2cccc(C)c2C)ccc1CNC1CC1
InChIInChI=1S/C19H23NO/c1-13-5-4-6-19(15(13)3)21-18-10-7-16(14(2)11-18)12-20-17-8-9-17/h4-7,10-11,17,20H,8-9,12H2,1-3H3
InChIKeyQYMDHLRPKHLTDV-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-[[4-(2-bromophenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 63552532
N-[[4-(3-bromophenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 63552745
N-[[4-(5-bromo-2-methylphenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 107285110
N-[[4-(4-bromo-2-methylphenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 63552049
N-[[2-chloro-6-(2,3-dimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43282801
N-[[2-(4-chloro-3-methylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 43314070
N-[[4-bromo-2-(4-chloro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 43282343
N-[[2-(2,3,5-trimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283592
N-[[2-chloro-6-(3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283118
1,2-dimethyl-3-[4-(3-methyl-4-pentylphenoxy)phenoxy]benzene
CID 167138417
N-[[2-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 107659667
N-[[2-(3-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283337

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-dimethylphenoxy)-2-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2,3-dimethylphenoxy)-2-methylphenyl]methyl]cyclopropanamine (CID 63551432) is N-[[4-(2,3-dimethylphenoxy)-2-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2,3-dimethylphenoxy)-2-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2,3-dimethylphenoxy)-2-methylphenyl]methyl]cyclopropanamine is Cc1cc(Oc2cccc(C)c2C)ccc1CNC1CC1.
What is the InChIKey of N-[[4-(2,3-dimethylphenoxy)-2-methylphenyl]methyl]cyclopropanamine?
The InChIKey is QYMDHLRPKHLTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-13-5-4-6-19(15(13)3)21-18-10-7-16(14(2)11-18)12-20-17-8-9-17/h4-7,10-11,17,20H,8-9,12H2,1-3H3.
What are the key properties of N-[[4-(2,3-dimethylphenoxy)-2-methylphenyl]methyl]cyclopropanamine?
N-[[4-(2,3-dimethylphenoxy)-2-methylphenyl]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-[[4-(2,3-dimethylphenoxy)-2-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63551432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).