N-[[4-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-1-amine

C16H27NO2 — CID 61267983

IUPACN-[[4-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OC)cc1OCCC(C)C
InChIInChI=1S/C16H27NO2/c1-5-9-17-12-14-6-7-15(18-4)11-16(14)19-10-8-13(2)3/h6-7,11,13,17H,5,8-10,12H2,1-4H3
InChIKeyRCKBFEWVFITDLG-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.62
Rot. Bonds9

About N-[[4-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-1-amine

N-[[4-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-1-amine (PubChem CID 61267983) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[4-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-1-amine
PubChem CID61267983
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[[4-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OC)cc1OCCC(C)C
InChIInChI=1S/C16H27NO2/c1-5-9-17-12-14-6-7-15(18-4)11-16(14)19-10-8-13(2)3/h6-7,11,13,17H,5,8-10,12H2,1-4H3
InChIKeyRCKBFEWVFITDLG-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.62
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-[[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 106449993
1-[4-methoxy-2-(3-methylbutoxy)phenyl]-N-methylmethanamine
CID 61268710
N-[[4-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 103032736
methyl 4-[5-methoxy-2-(propylaminomethyl)phenoxy]butanoate
CID 61269092
N-[[2-(ethoxymethoxy)-4-methoxyphenyl]methyl]propan-1-amine
CID 65369345
N-[(2-hept-6-enoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 107006122
1-(bromomethyl)-4-methoxy-2-(3-methylbutoxy)benzene
CID 61269278
N-[(2-methoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 43472507
N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]propan-1-amine
CID 61268729
N-[(4-methoxy-2-propoxyphenyl)methyl]propan-2-amine
CID 61267266
N-[[4-methoxy-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63059379
2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 61268168

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-1-amine (CID 61267983) is N-[[4-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-1-amine is CCCNCc1ccc(OC)cc1OCCC(C)C.
What is the InChIKey of N-[[4-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-1-amine?
The InChIKey is RCKBFEWVFITDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-9-17-12-14-6-7-15(18-4)11-16(14)19-10-8-13(2)3/h6-7,11,13,17H,5,8-10,12H2,1-4H3.
What are the key properties of N-[[4-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-1-amine?
N-[[4-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 61267983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).