N-[2,2-dimethyl-3-(4-phenylmethoxyphenoxy)propyl]cyclopropanamine

C21H27NO2 — CID 113249331

IUPACN-[2,2-dimethyl-3-(4-phenylmethoxyphenoxy)propyl]cyclopropanamine
SMILESCC(C)(CNC1CC1)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H27NO2/c1-21(2,15-22-18-8-9-18)16-24-20-12-10-19(11-13-20)23-14-17-6-4-3-5-7-17/h3-7,10-13,18,22H,8-9,14-16H2,1-2H3
InChIKeyLYBYGPFHQNPGCY-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.42
Rot. Bonds9

About N-[2,2-dimethyl-3-(4-phenylmethoxyphenoxy)propyl]cyclopropanamine

N-[2,2-dimethyl-3-(4-phenylmethoxyphenoxy)propyl]cyclopropanamine (PubChem CID 113249331) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(4-phenylmethoxyphenoxy)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(4-phenylmethoxyphenoxy)propyl]cyclopropanamine
PubChem CID113249331
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-[2,2-dimethyl-3-(4-phenylmethoxyphenoxy)propyl]cyclopropanamine
SMILESCC(C)(CNC1CC1)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H27NO2/c1-21(2,15-22-18-8-9-18)16-24-20-12-10-19(11-13-20)23-14-17-6-4-3-5-7-17/h3-7,10-13,18,22H,8-9,14-16H2,1-2H3
InChIKeyLYBYGPFHQNPGCY-UHFFFAOYSA-N
XLogP4.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79627900
N-[3-(3-ethylphenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79628392
N-[3-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylpropyl]cyclopropanamine
CID 79627246
N-(2,2-dimethyl-3-phenylpropyl)cyclopropanamine
CID 62724545
N-(2,2-dimethyl-3-pyridin-3-yloxypropyl)cyclopropanamine
CID 79628763
N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
N-[2,2-dimethyl-3-(2-propoxyphenoxy)propyl]cyclopropanamine
CID 79628062
4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol
CID 163349895
N-[2-methyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine
CID 102940521
N-[3-(4-bromo-3-fluorophenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79626291
N-[4-(4-ethoxyphenyl)-2,2-dimethylbutyl]cyclopropanamine
CID 65308897
N-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropanamine
CID 112609978

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(4-phenylmethoxyphenoxy)propyl]cyclopropanamine?
The IUPAC name of N-[2,2-dimethyl-3-(4-phenylmethoxyphenoxy)propyl]cyclopropanamine (CID 113249331) is N-[2,2-dimethyl-3-(4-phenylmethoxyphenoxy)propyl]cyclopropanamine.
What is the SMILES notation for N-[2,2-dimethyl-3-(4-phenylmethoxyphenoxy)propyl]cyclopropanamine?
The canonical SMILES for N-[2,2-dimethyl-3-(4-phenylmethoxyphenoxy)propyl]cyclopropanamine is CC(C)(CNC1CC1)COc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[2,2-dimethyl-3-(4-phenylmethoxyphenoxy)propyl]cyclopropanamine?
The InChIKey is LYBYGPFHQNPGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-21(2,15-22-18-8-9-18)16-24-20-12-10-19(11-13-20)23-14-17-6-4-3-5-7-17/h3-7,10-13,18,22H,8-9,14-16H2,1-2H3.
What are the key properties of N-[2,2-dimethyl-3-(4-phenylmethoxyphenoxy)propyl]cyclopropanamine?
N-[2,2-dimethyl-3-(4-phenylmethoxyphenoxy)propyl]cyclopropanamine has a molecular weight of 325.45 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-(4-phenylmethoxyphenoxy)propyl]cyclopropanamine is sourced from PubChem (CID 113249331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).