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

C17H27NO2 — CID 79628062

IUPACN-[2,2-dimethyl-3-(2-propoxyphenoxy)propyl]cyclopropanamine
SMILESCCCOc1ccccc1OCC(C)(C)CNC1CC1
InChIInChI=1S/C17H27NO2/c1-4-11-19-15-7-5-6-8-16(15)20-13-17(2,3)12-18-14-9-10-14/h5-8,14,18H,4,9-13H2,1-3H3
InChIKeyXCQLMYXWTOPZAA-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.63
Rot. Bonds9

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

N-[2,2-dimethyl-3-(2-propoxyphenoxy)propyl]cyclopropanamine (PubChem CID 79628062) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(2-propoxyphenoxy)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(2-propoxyphenoxy)propyl]cyclopropanamine
PubChem CID79628062
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[2,2-dimethyl-3-(2-propoxyphenoxy)propyl]cyclopropanamine
SMILESCCCOc1ccccc1OCC(C)(C)CNC1CC1
InChIInChI=1S/C17H27NO2/c1-4-11-19-15-7-5-6-8-16(15)20-13-17(2,3)12-18-14-9-10-14/h5-8,14,18H,4,9-13H2,1-3H3
InChIKeyXCQLMYXWTOPZAA-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2,2-dimethyl-3-(2-propoxyphenoxy)propyl]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-(2-bromophenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79627719
2,2-dimethyl-N-propan-2-yl-3-(2-propoxyphenoxy)propan-1-amine
CID 79627722
N-[2-[(2-propoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066359
N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79627900
N-[3-(2-propoxyphenoxy)propyl]cyclohexanamine
CID 62573100
N-[3-(3-ethylphenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79628392
N-[2,2-dimethyl-3-(4-phenylmethoxyphenoxy)propyl]cyclopropanamine
CID 113249331
1-(cyclopropylamino)-3-(2-ethylphenoxy)-2-methylpropan-2-ol
CID 66336099
N-(2,2-dimethyl-3-pyridin-3-yloxypropyl)cyclopropanamine
CID 79628763
N-[2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutyl]cyclopropanamine
CID 83150520
N-[2-(2-ethoxyphenoxy)ethyl]cyclopropanamine;hydrochloride
CID 117068187
1-(2-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66336227

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(2-propoxyphenoxy)propyl]cyclopropanamine?
The IUPAC name of N-[2,2-dimethyl-3-(2-propoxyphenoxy)propyl]cyclopropanamine (CID 79628062) is N-[2,2-dimethyl-3-(2-propoxyphenoxy)propyl]cyclopropanamine.
What is the SMILES notation for N-[2,2-dimethyl-3-(2-propoxyphenoxy)propyl]cyclopropanamine?
The canonical SMILES for N-[2,2-dimethyl-3-(2-propoxyphenoxy)propyl]cyclopropanamine is CCCOc1ccccc1OCC(C)(C)CNC1CC1.
What is the InChIKey of N-[2,2-dimethyl-3-(2-propoxyphenoxy)propyl]cyclopropanamine?
The InChIKey is XCQLMYXWTOPZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-11-19-15-7-5-6-8-16(15)20-13-17(2,3)12-18-14-9-10-14/h5-8,14,18H,4,9-13H2,1-3H3.
What are the key properties of N-[2,2-dimethyl-3-(2-propoxyphenoxy)propyl]cyclopropanamine?
N-[2,2-dimethyl-3-(2-propoxyphenoxy)propyl]cyclopropanamine has a molecular weight of 277.41 g/mol, XLogP of 3.63, 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-(2-propoxyphenoxy)propyl]cyclopropanamine is sourced from PubChem (CID 79628062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).