N-[[1-[(2-methoxyphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine

C16H25NO — CID 66025587

IUPACN-[[1-[(2-methoxyphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccccc1CC1(CNCC(C)C)CC1
InChIInChI=1S/C16H25NO/c1-13(2)11-17-12-16(8-9-16)10-14-6-4-5-7-15(14)18-3/h4-7,13,17H,8-12H2,1-3H3
InChIKeyGPONGVQWFSFFKU-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.26
Rot. Bonds7

About N-[[1-[(2-methoxyphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine

N-[[1-[(2-methoxyphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine (PubChem CID 66025587) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[[1-[(2-methoxyphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2-methoxyphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
PubChem CID66025587
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[[1-[(2-methoxyphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccccc1CC1(CNCC(C)C)CC1
InChIInChI=1S/C16H25NO/c1-13(2)11-17-12-16(8-9-16)10-14-6-4-5-7-15(14)18-3/h4-7,13,17H,8-12H2,1-3H3
InChIKeyGPONGVQWFSFFKU-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-[(2-methoxyphenyl)methyl]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

1-[1-[(2-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 66025080
N-[[1-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62724376
N-[[2-[(2-methoxyphenyl)methyl]-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine
CID 62712827
N-[[1-[(2,3-difluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66024265
3-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)azetidine
CID 79451831
N-[[1-(2-ethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199421
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]methyl]ethanamine
CID 113453870
N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405438
N-[[1-[(2,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66026917
N-[[1-[(2-methoxy-5-methylphenyl)methyl]cyclopropyl]methyl]ethanamine
CID 66025990
2-N-[(2-methoxyphenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 55072074
N-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66026264

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methoxyphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(2-methoxyphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine (CID 66025587) is N-[[1-[(2-methoxyphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(2-methoxyphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(2-methoxyphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine is COc1ccccc1CC1(CNCC(C)C)CC1.
What is the InChIKey of N-[[1-[(2-methoxyphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine?
The InChIKey is GPONGVQWFSFFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(2)11-17-12-16(8-9-16)10-14-6-4-5-7-15(14)18-3/h4-7,13,17H,8-12H2,1-3H3.
What are the key properties of N-[[1-[(2-methoxyphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine?
N-[[1-[(2-methoxyphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methoxyphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66025587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).