N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine

C16H25NO — CID 62704055

IUPACN-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine
SMILESCOc1ccc(C)cc1C1(C)CC1CNC(C)C
InChIInChI=1S/C16H25NO/c1-11(2)17-10-13-9-16(13,4)14-8-12(3)6-7-15(14)18-5/h6-8,11,13,17H,9-10H2,1-5H3
InChIKeyDZTDCRDIFJPFQV-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.28
Rot. Bonds5

About N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine

N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine (PubChem CID 62704055) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine
PubChem CID62704055
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine
SMILESCOc1ccc(C)cc1C1(C)CC1CNC(C)C
InChIInChI=1S/C16H25NO/c1-11(2)17-10-13-9-16(13,4)14-8-12(3)6-7-15(14)18-5/h6-8,11,13,17H,9-10H2,1-5H3
InChIKeyDZTDCRDIFJPFQV-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]propan-2-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-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine
CID 62714065
N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclopentyl]methyl]propan-2-amine
CID 79679445
N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclobutyl]methyl]propan-2-amine
CID 66432596
N-[[2-(2,5-difluorophenyl)-2-methylcyclopropyl]methyl]propan-2-amine
CID 62709115
N-[(2,2-dimethylcyclopropyl)methyl]-1-(2,4-dimethylphenyl)ethanamine
CID 114107679
1-(3,4-dimethoxyphenyl)-N-[(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 103902141
N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 113348517
1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 103903195
N-[(2-methoxy-5-methylphenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 61223569
1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 107004230
1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902912
1-[1-(2-methoxy-5-methylphenyl)cyclopropyl]ethanol
CID 83687634

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine (CID 62704055) is N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine is COc1ccc(C)cc1C1(C)CC1CNC(C)C.
What is the InChIKey of N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine?
The InChIKey is DZTDCRDIFJPFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11(2)17-10-13-9-16(13,4)14-8-12(3)6-7-15(14)18-5/h6-8,11,13,17H,9-10H2,1-5H3.
What are the key properties of N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine?
N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 62704055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).