N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]butan-1-amine

C15H25NO2 — CID 39355523

IUPACN-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]butan-1-amine
SMILESCCCCNCc1cccc(OC)c1OC(C)C
InChIInChI=1S/C15H25NO2/c1-5-6-10-16-11-13-8-7-9-14(17-4)15(13)18-12(2)3/h7-9,12,16H,5-6,10-11H2,1-4H3
InChIKeyJUQNSKPPOARFRQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.37
Rot. Bonds8

About N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]butan-1-amine

N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]butan-1-amine (PubChem CID 39355523) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]butan-1-amine
PubChem CID39355523
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]butan-1-amine
SMILESCCCCNCc1cccc(OC)c1OC(C)C
InChIInChI=1S/C15H25NO2/c1-5-6-10-16-11-13-8-7-9-14(17-4)15(13)18-12(2)3/h7-9,12,16H,5-6,10-11H2,1-4H3
InChIKeyJUQNSKPPOARFRQ-UHFFFAOYSA-N
XLogP3.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43388382
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine
CID 39355527
N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805393
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 39422668
N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methyl]butan-1-amine
CID 54805198
N',N'-dibutyl-N-[(2,3-dimethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17214645
N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17208974
N-[(3-methoxy-2-octoxyphenyl)methyl]propan-1-amine
CID 54804925
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54847674
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]-N-propylpropanamide
CID 43471966
3-[(2-heptoxy-3-methoxyphenyl)methylamino]propan-1-ol
CID 54849124

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]butan-1-amine?
The IUPAC name of N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]butan-1-amine (CID 39355523) is N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]butan-1-amine.
What is the SMILES notation for N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]butan-1-amine?
The canonical SMILES for N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]butan-1-amine is CCCCNCc1cccc(OC)c1OC(C)C.
What is the InChIKey of N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]butan-1-amine?
The InChIKey is JUQNSKPPOARFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-6-10-16-11-13-8-7-9-14(17-4)15(13)18-12(2)3/h7-9,12,16H,5-6,10-11H2,1-4H3.
What are the key properties of N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]butan-1-amine?
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]butan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]butan-1-amine is sourced from PubChem (CID 39355523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).