N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine

C18H21NO — CID 39366699

IUPACN-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
SMILESc1ccc(CCOc2cccc(CNC3CC3)c2)cc1
InChIInChI=1S/C18H21NO/c1-2-5-15(6-3-1)11-12-20-18-8-4-7-16(13-18)14-19-17-9-10-17/h1-8,13,17,19H,9-12,14H2
InChIKeyBGDJKIFPNBHSJV-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.56
Rot. Bonds7

About N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine

N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 39366699) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
PubChem CID39366699
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
SMILESc1ccc(CCOc2cccc(CNC3CC3)c2)cc1
InChIInChI=1S/C18H21NO/c1-2-5-15(6-3-1)11-12-20-18-8-4-7-16(13-18)14-19-17-9-10-17/h1-8,13,17,19H,9-12,14H2
InChIKeyBGDJKIFPNBHSJV-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-(3-phenylpropoxy)phenyl]methylamino]cyclohexan-1-ol
CID 119128369
N-[[4-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366707
3-[3-[(cyclopropylamino)methyl]phenoxy]propanamide
CID 43278492
N-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103
N-[[3-(2-ethylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 43807424
N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
CID 114471432
N-[(3-hexoxyphenyl)methyl]cyclopentanamine
CID 54850259
N-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine
CID 54798922
methyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate
CID 60881675
N-[[3-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 61484058
N-[[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 79178291
N-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine
CID 114521707

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine (CID 39366699) is N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine is c1ccc(CCOc2cccc(CNC3CC3)c2)cc1.
What is the InChIKey of N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is BGDJKIFPNBHSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-5-15(6-3-1)11-12-20-18-8-4-7-16(13-18)14-19-17-9-10-17/h1-8,13,17,19H,9-12,14H2.
What are the key properties of N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine?
N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 267.37 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 39366699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).