N-[3-(3-ethylphenoxy)-2,2-dimethylpropyl]cyclopropanamine

C16H25NO — CID 79628392

IUPACN-[3-(3-ethylphenoxy)-2,2-dimethylpropyl]cyclopropanamine
SMILESCCc1cccc(OCC(C)(C)CNC2CC2)c1
InChIInChI=1S/C16H25NO/c1-4-13-6-5-7-15(10-13)18-12-16(2,3)11-17-14-8-9-14/h5-7,10,14,17H,4,8-9,11-12H2,1-3H3
InChIKeyMCFBFZLACUFUKX-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.41
Rot. Bonds7

About N-[3-(3-ethylphenoxy)-2,2-dimethylpropyl]cyclopropanamine

N-[3-(3-ethylphenoxy)-2,2-dimethylpropyl]cyclopropanamine (PubChem CID 79628392) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[3-(3-ethylphenoxy)-2,2-dimethylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(3-ethylphenoxy)-2,2-dimethylpropyl]cyclopropanamine
PubChem CID79628392
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[3-(3-ethylphenoxy)-2,2-dimethylpropyl]cyclopropanamine
SMILESCCc1cccc(OCC(C)(C)CNC2CC2)c1
InChIInChI=1S/C16H25NO/c1-4-13-6-5-7-15(10-13)18-12-16(2,3)11-17-14-8-9-14/h5-7,10,14,17H,4,8-9,11-12H2,1-3H3
InChIKeyMCFBFZLACUFUKX-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(3-ethylphenoxy)-2,2-dimethylpropan-1-amine
CID 79627888
N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79627900
N-[2,2-dimethyl-3-(4-phenylmethoxyphenoxy)propyl]cyclopropanamine
CID 113249331
N-(2,2-dimethyl-3-pyridin-3-yloxypropyl)cyclopropanamine
CID 79628763
N-[3-(4-bromo-3-fluorophenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79626291
N-[3-(3-ethylphenoxy)propyl]cyclohexanamine
CID 62598986
N-[3-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylpropyl]cyclopropanamine
CID 79627246
1-[3-[(cyclopropylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol
CID 114491649
N-[2,2-dimethyl-3-(2-propoxyphenoxy)propyl]cyclopropanamine
CID 79628062
N-[3-(3-ethoxyphenyl)propyl]cyclopropanamine
CID 79019318
1-(3-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66335627
N-[[1-(3-ethylphenoxy)cyclopropyl]methyl]cyclopropanamine
CID 114199408

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-ethylphenoxy)-2,2-dimethylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(3-ethylphenoxy)-2,2-dimethylpropyl]cyclopropanamine (CID 79628392) is N-[3-(3-ethylphenoxy)-2,2-dimethylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(3-ethylphenoxy)-2,2-dimethylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(3-ethylphenoxy)-2,2-dimethylpropyl]cyclopropanamine is CCc1cccc(OCC(C)(C)CNC2CC2)c1.
What is the InChIKey of N-[3-(3-ethylphenoxy)-2,2-dimethylpropyl]cyclopropanamine?
The InChIKey is MCFBFZLACUFUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-13-6-5-7-15(10-13)18-12-16(2,3)11-17-14-8-9-14/h5-7,10,14,17H,4,8-9,11-12H2,1-3H3.
What are the key properties of N-[3-(3-ethylphenoxy)-2,2-dimethylpropyl]cyclopropanamine?
N-[3-(3-ethylphenoxy)-2,2-dimethylpropyl]cyclopropanamine has a molecular weight of 247.38 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-ethylphenoxy)-2,2-dimethylpropyl]cyclopropanamine is sourced from PubChem (CID 79628392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).