N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine

C15H25NO — CID 54861778

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
SMILESCOCc1ccccc1CNC(C)CC(C)C
InChIInChI=1S/C15H25NO/c1-12(2)9-13(3)16-10-14-7-5-6-8-15(14)11-17-4/h5-8,12-13,16H,9-11H2,1-4H3
InChIKeyVDNFHKZGNIBBMX-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.36
Rot. Bonds7

About N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine

N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine (PubChem CID 54861778) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
PubChem CID54861778
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
SMILESCOCc1ccccc1CNC(C)CC(C)C
InChIInChI=1S/C15H25NO/c1-12(2)9-13(3)16-10-14-7-5-6-8-15(14)11-17-4/h5-8,12-13,16H,9-11H2,1-4H3
InChIKeyVDNFHKZGNIBBMX-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-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

4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54861814
N-[[2-(methoxymethyl)phenyl]methyl]-1-methylsulfonylpropan-2-amine
CID 64630766
6,6,6-trifluoro-N-[[2-(methoxymethyl)phenyl]methyl]hexan-2-amine
CID 116534560
3-[[2-(methoxymethyl)phenyl]methylamino]-2-methylbutan-2-ol
CID 65338098
N-[(2,3-dimethoxyphenyl)methyl]-4-methylpentan-2-amine
CID 43371866
1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 103924687
(1R)-1-cyclopentyl-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 81395717
N-[[2-(methoxymethyl)phenyl]methyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79540165
1-[[2-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 60924440
N-[[2-(ethoxymethyl)phenyl]methyl]-2,6-dimethylheptan-4-amine
CID 63448148
N'-hydroxy-2-[[2-(methoxymethyl)phenyl]methylamino]propanimidamide
CID 77026376
1-(5-bromofuran-2-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 104652747

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine (CID 54861778) is N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine is COCc1ccccc1CNC(C)CC(C)C.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine?
The InChIKey is VDNFHKZGNIBBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(2)9-13(3)16-10-14-7-5-6-8-15(14)11-17-4/h5-8,12-13,16H,9-11H2,1-4H3.
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine?
N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine is sourced from PubChem (CID 54861778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).