N-[[4-(2,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine

C18H21NO — CID 43283027

IUPACN-[[4-(2,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine
SMILESCc1ccc(C)c(Oc2ccc(CNC3CC3)cc2)c1
InChIInChI=1S/C18H21NO/c1-13-3-4-14(2)18(11-13)20-17-9-5-15(6-10-17)12-19-16-7-8-16/h3-6,9-11,16,19H,7-8,12H2,1-2H3
InChIKeyGDRLRXZMCVYULR-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.35
Rot. Bonds5

About N-[[4-(2,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine

N-[[4-(2,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine (PubChem CID 43283027) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[[4-(2,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine
PubChem CID43283027
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-[[4-(2,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine
SMILESCc1ccc(C)c(Oc2ccc(CNC3CC3)cc2)c1
InChIInChI=1S/C18H21NO/c1-13-3-4-14(2)18(11-13)20-17-9-5-15(6-10-17)12-19-16-7-8-16/h3-6,9-11,16,19H,7-8,12H2,1-2H3
InChIKeyGDRLRXZMCVYULR-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-methyl-3-(4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 105406496
[4-[5-[(cyclopropylamino)methyl]-2-methylphenoxy]phenyl]methanol
CID 105407183
N-[[4-(3,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283085
N-[[3-(3-chloro-4-fluorophenoxy)-4-methylphenyl]methyl]cyclopropanamine
CID 105407336
N-[[4-(2-chloro-5-methylphenoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 63550539
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62450351
N-[[4-(2,5-dimethylphenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254386
N-[[3-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 64855234
N-[[3-fluoro-4-(4-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283164
N-[[3-(2-bromophenoxy)-4-methylphenyl]methyl]cyclopropanamine
CID 105406447
N-[[4-(4-bromophenoxy)phenyl]methyl]cyclopropanamine
CID 43282937
N-[[4-(5-bromo-2-methylphenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 107285110

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine (CID 43283027) is N-[[4-(2,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine is Cc1ccc(C)c(Oc2ccc(CNC3CC3)cc2)c1.
What is the InChIKey of N-[[4-(2,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is GDRLRXZMCVYULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-3-4-14(2)18(11-13)20-17-9-5-15(6-10-17)12-19-16-7-8-16/h3-6,9-11,16,19H,7-8,12H2,1-2H3.
What are the key properties of N-[[4-(2,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine?
N-[[4-(2,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 267.37 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 43283027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).