N-[[2-(2-ethoxyphenyl)phenyl]methyl]cyclopropanamine

C18H21NO — CID 62801536

IUPACN-[[2-(2-ethoxyphenyl)phenyl]methyl]cyclopropanamine
SMILESCCOc1ccccc1-c1ccccc1CNC1CC1
InChIInChI=1S/C18H21NO/c1-2-20-18-10-6-5-9-17(18)16-8-4-3-7-14(16)13-19-15-11-12-15/h3-10,15,19H,2,11-13H2,1H3
InChIKeyJGBOEPJBLWGUIX-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.00
Rot. Bonds6

About N-[[2-(2-ethoxyphenyl)phenyl]methyl]cyclopropanamine

N-[[2-(2-ethoxyphenyl)phenyl]methyl]cyclopropanamine (PubChem CID 62801536) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[[2-(2-ethoxyphenyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-ethoxyphenyl)phenyl]methyl]cyclopropanamine
PubChem CID62801536
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-[[2-(2-ethoxyphenyl)phenyl]methyl]cyclopropanamine
SMILESCCOc1ccccc1-c1ccccc1CNC1CC1
InChIInChI=1S/C18H21NO/c1-2-20-18-10-6-5-9-17(18)16-8-4-3-7-14(16)13-19-15-11-12-15/h3-10,15,19H,2,11-13H2,1H3
InChIKeyJGBOEPJBLWGUIX-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride
CID 6460007
4-[(2-ethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809553
N-[[2-(2,4-dimethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61034434
N-[[5-(2-ethoxyphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65183820
4-[(3-ethoxy-2-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 43220624
N-[[2-(2,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine
CID 115503138
N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]cyclopropanamine
CID 114619680
N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
CID 4717334
N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
CID 114471447
N-[2-(2-ethoxyphenoxy)ethyl]cyclopropanamine;hydrochloride
CID 117068187
N-[[2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]cyclopropanamine
CID 115484384
N-[(2-ethoxyphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472919

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethoxyphenyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-ethoxyphenyl)phenyl]methyl]cyclopropanamine (CID 62801536) is N-[[2-(2-ethoxyphenyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-ethoxyphenyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-ethoxyphenyl)phenyl]methyl]cyclopropanamine is CCOc1ccccc1-c1ccccc1CNC1CC1.
What is the InChIKey of N-[[2-(2-ethoxyphenyl)phenyl]methyl]cyclopropanamine?
The InChIKey is JGBOEPJBLWGUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-20-18-10-6-5-9-17(18)16-8-4-3-7-14(16)13-19-15-11-12-15/h3-10,15,19H,2,11-13H2,1H3.
What are the key properties of N-[[2-(2-ethoxyphenyl)phenyl]methyl]cyclopropanamine?
N-[[2-(2-ethoxyphenyl)phenyl]methyl]cyclopropanamine has a molecular weight of 267.37 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethoxyphenyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62801536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).