N-[[1-(2,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine

C16H25NO — CID 114199433

IUPACN-[[1-(2,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(OC2(CNCC(C)C)CC2)c(C)c1
InChIInChI=1S/C16H25NO/c1-12(2)10-17-11-16(7-8-16)18-15-6-5-13(3)9-14(15)4/h5-6,9,12,17H,7-8,10-11H2,1-4H3
InChIKeyCINRDFWVGMLCCZ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.46
Rot. Bonds6

About N-[[1-(2,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine

N-[[1-(2,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine (PubChem CID 114199433) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[[1-(2,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(2,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
PubChem CID114199433
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[[1-(2,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(OC2(CNCC(C)C)CC2)c(C)c1
InChIInChI=1S/C16H25NO/c1-12(2)10-17-11-16(7-8-16)18-15-6-5-13(3)9-14(15)4/h5-6,9,12,17H,7-8,10-11H2,1-4H3
InChIKeyCINRDFWVGMLCCZ-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-(2,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine 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-[2-[1-(2,4-dimethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine
CID 103273497
N-[[1-(3,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199461
1-[1-(chloromethyl)cyclopropyl]oxy-2,4-dimethylbenzene
CID 126974003
N-[[1-(2-ethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199421
2-[1-(2,4-dimethylphenoxy)cyclobutyl]-N-ethylethanamine
CID 103273499
N-[[1-(3-methoxyphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199444
N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199475
N-[[5-(2-methoxy-5-methylphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine
CID 65008712
N-methyl-1-[1-(5-methyl-2-propan-2-ylphenoxy)cyclopropyl]methanamine
CID 114199448
N-[[1-[(2,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66026917
N-[[5-[(2,4-dimethylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62453470
1-(2,4-dimethylphenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol
CID 115454663

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(2,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine (CID 114199433) is N-[[1-(2,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(2,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(2,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine is Cc1ccc(OC2(CNCC(C)C)CC2)c(C)c1.
What is the InChIKey of N-[[1-(2,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine?
The InChIKey is CINRDFWVGMLCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)10-17-11-16(7-8-16)18-15-6-5-13(3)9-14(15)4/h5-6,9,12,17H,7-8,10-11H2,1-4H3.
What are the key properties of N-[[1-(2,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine?
N-[[1-(2,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114199433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).