N-[(3,5-dimethyl-4-propan-2-yloxyphenyl)methyl]cyclopropanamine

C15H23NO — CID 43276848

IUPACN-[(3,5-dimethyl-4-propan-2-yloxyphenyl)methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)cc(C)c1OC(C)C
InChIInChI=1S/C15H23NO/c1-10(2)17-15-11(3)7-13(8-12(15)4)9-16-14-5-6-14/h7-8,10,14,16H,5-6,9H2,1-4H3
InChIKeyCQFXCLHUIGYWMQ-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.34
Rot. Bonds5

About N-[(3,5-dimethyl-4-propan-2-yloxyphenyl)methyl]cyclopropanamine

N-[(3,5-dimethyl-4-propan-2-yloxyphenyl)methyl]cyclopropanamine (PubChem CID 43276848) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[(3,5-dimethyl-4-propan-2-yloxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-4-propan-2-yloxyphenyl)methyl]cyclopropanamine
PubChem CID43276848
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[(3,5-dimethyl-4-propan-2-yloxyphenyl)methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)cc(C)c1OC(C)C
InChIInChI=1S/C15H23NO/c1-10(2)17-15-11(3)7-13(8-12(15)4)9-16-14-5-6-14/h7-8,10,14,16H,5-6,9H2,1-4H3
InChIKeyCQFXCLHUIGYWMQ-UHFFFAOYSA-N
XLogP3.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3,5-dimethyl-4-propan-2-yloxyphenyl)methyl]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-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
CID 43276817
N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclobutanamine
CID 96673699
N-[[4-(2-methoxyethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
CID 43276814
N-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
CID 65459145
1-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-3-methoxypropan-2-ol
CID 63928973
methyl 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]acetate
CID 60880238
methyl 4-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]butanoate
CID 60880078
N-[[3,5-dimethyl-4-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methyl]cyclopropanamine
CID 116614949
N-[(4-methyl-3-propan-2-ylphenyl)methyl]cyclopropanamine
CID 105408787
N-[(3,5-dimethylphenyl)methyl]cyclobutanamine
CID 62414754
4-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-2,2-dimethylbutanenitrile
CID 65250053
N-[[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 60879896

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-4-propan-2-yloxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(3,5-dimethyl-4-propan-2-yloxyphenyl)methyl]cyclopropanamine (CID 43276848) is N-[(3,5-dimethyl-4-propan-2-yloxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3,5-dimethyl-4-propan-2-yloxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3,5-dimethyl-4-propan-2-yloxyphenyl)methyl]cyclopropanamine is Cc1cc(CNC2CC2)cc(C)c1OC(C)C.
What is the InChIKey of N-[(3,5-dimethyl-4-propan-2-yloxyphenyl)methyl]cyclopropanamine?
The InChIKey is CQFXCLHUIGYWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10(2)17-15-11(3)7-13(8-12(15)4)9-16-14-5-6-14/h7-8,10,14,16H,5-6,9H2,1-4H3.
What are the key properties of N-[(3,5-dimethyl-4-propan-2-yloxyphenyl)methyl]cyclopropanamine?
N-[(3,5-dimethyl-4-propan-2-yloxyphenyl)methyl]cyclopropanamine has a molecular weight of 233.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-4-propan-2-yloxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 43276848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).