N-[3-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylpropyl]cyclopropanamine

C17H27NO2 — CID 79627246

IUPACN-[3-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylpropyl]cyclopropanamine
SMILESCOCCc1ccc(OCC(C)(C)CNC2CC2)cc1
InChIInChI=1S/C17H27NO2/c1-17(2,12-18-15-6-7-15)13-20-16-8-4-14(5-9-16)10-11-19-3/h4-5,8-9,15,18H,6-7,10-13H2,1-3H3
InChIKeyUSFUVCLIKSDWRL-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.03
Rot. Bonds9

About N-[3-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylpropyl]cyclopropanamine

N-[3-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylpropyl]cyclopropanamine (PubChem CID 79627246) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[3-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylpropyl]cyclopropanamine
PubChem CID79627246
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[3-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylpropyl]cyclopropanamine
SMILESCOCCc1ccc(OCC(C)(C)CNC2CC2)cc1
InChIInChI=1S/C17H27NO2/c1-17(2,12-18-15-6-7-15)13-20-16-8-4-14(5-9-16)10-11-19-3/h4-5,8-9,15,18H,6-7,10-13H2,1-3H3
InChIKeyUSFUVCLIKSDWRL-UHFFFAOYSA-N
XLogP3.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylpropyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79627900
N-[2,2-dimethyl-3-(4-phenylmethoxyphenoxy)propyl]cyclopropanamine
CID 113249331
N-[4-(4-ethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine
CID 65308897
N-[3-(3-ethylphenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79628392
N-(2,2-dimethyl-3-pyridin-3-yloxypropyl)cyclopropanamine
CID 79628763
N-[3-(4-bromo-3-fluorophenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79626291
N-[2,2-dimethyl-3-(2-propoxyphenoxy)propyl]cyclopropanamine
CID 79628062
N-[[5-[4-(2-methoxyethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 80624253
N-[3-(2-bromophenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79627719
3-[4-(2-methoxyethyl)phenoxy]-N-methylcyclopentan-1-amine
CID 79642909
N-[[4-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366707
N-[[4-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 62441857

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylpropyl]cyclopropanamine?
The IUPAC name of N-[3-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylpropyl]cyclopropanamine (CID 79627246) is N-[3-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylpropyl]cyclopropanamine is COCCc1ccc(OCC(C)(C)CNC2CC2)cc1.
What is the InChIKey of N-[3-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylpropyl]cyclopropanamine?
The InChIKey is USFUVCLIKSDWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-17(2,12-18-15-6-7-15)13-20-16-8-4-14(5-9-16)10-11-19-3/h4-5,8-9,15,18H,6-7,10-13H2,1-3H3.
What are the key properties of N-[3-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylpropyl]cyclopropanamine?
N-[3-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylpropyl]cyclopropanamine has a molecular weight of 277.41 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylpropyl]cyclopropanamine is sourced from PubChem (CID 79627246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).