N-[[4-(methoxymethoxy)-3,5-dimethylphenyl]methyl]-2-methylpropan-1-amine

C15H25NO2 — CID 65365718

IUPACN-[[4-(methoxymethoxy)-3,5-dimethylphenyl]methyl]-2-methylpropan-1-amine
SMILESCOCOc1c(C)cc(CNCC(C)C)cc1C
InChIInChI=1S/C15H25NO2/c1-11(2)8-16-9-14-6-12(3)15(13(4)7-14)18-10-17-5/h6-7,11,16H,8-10H2,1-5H3
InChIKeyDEPYUFSMFDMJOM-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.03
Rot. Bonds7

About N-[[4-(methoxymethoxy)-3,5-dimethylphenyl]methyl]-2-methylpropan-1-amine

N-[[4-(methoxymethoxy)-3,5-dimethylphenyl]methyl]-2-methylpropan-1-amine (PubChem CID 65365718) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[4-(methoxymethoxy)-3,5-dimethylphenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(methoxymethoxy)-3,5-dimethylphenyl]methyl]-2-methylpropan-1-amine
PubChem CID65365718
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[[4-(methoxymethoxy)-3,5-dimethylphenyl]methyl]-2-methylpropan-1-amine
SMILESCOCOc1c(C)cc(CNCC(C)C)cc1C
InChIInChI=1S/C15H25NO2/c1-11(2)8-16-9-14-6-12(3)15(13(4)7-14)18-10-17-5/h6-7,11,16H,8-10H2,1-5H3
InChIKeyDEPYUFSMFDMJOM-UHFFFAOYSA-N
XLogP3.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(4-methoxybutoxy)-3,5-dimethylphenyl]methyl]-2-methylpropan-1-amine
CID 104647029
N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63499791
N-[(3,5-dimethyl-4-propoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63061678
4-[2,6-dimethyl-4-[(2-methylpropylamino)methyl]phenoxy]butanenitrile
CID 63061854
5-[2,6-dimethyl-4-[(2-methylpropylamino)methyl]phenoxy]pentanenitrile
CID 63061507
2-[2,6-dimethyl-4-[(2-methylpropylamino)methyl]phenoxy]propanoic acid
CID 63061683
2-[2,6-dimethyl-4-[(2-methylpropylamino)methyl]phenoxy]butanenitrile
CID 63061508
N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]propan-1-amine
CID 43276745
N-[[3-(methoxymethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79156612
2-(methoxymethoxy)-5-[4-(methoxymethoxy)-3,5-bis(methylsulfanyl)phenyl]-1,3-dimethylbenzene
CID 10810657
N-[[3,5-dimethyl-4-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 43276751
6-(4-methoxy-3,5-dimethylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 83048538

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethoxy)-3,5-dimethylphenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(methoxymethoxy)-3,5-dimethylphenyl]methyl]-2-methylpropan-1-amine (CID 65365718) is N-[[4-(methoxymethoxy)-3,5-dimethylphenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(methoxymethoxy)-3,5-dimethylphenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(methoxymethoxy)-3,5-dimethylphenyl]methyl]-2-methylpropan-1-amine is COCOc1c(C)cc(CNCC(C)C)cc1C.
What is the InChIKey of N-[[4-(methoxymethoxy)-3,5-dimethylphenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is DEPYUFSMFDMJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(2)8-16-9-14-6-12(3)15(13(4)7-14)18-10-17-5/h6-7,11,16H,8-10H2,1-5H3.
What are the key properties of N-[[4-(methoxymethoxy)-3,5-dimethylphenyl]methyl]-2-methylpropan-1-amine?
N-[[4-(methoxymethoxy)-3,5-dimethylphenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethoxy)-3,5-dimethylphenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65365718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).