N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylpropan-1-amine

C15H25NO2 — CID 62456313

IUPACN-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylpropan-1-amine
SMILESCOc1ccc(COCCCNCC(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-13(2)11-16-9-4-10-18-12-14-5-7-15(17-3)8-6-14/h5-8,13,16H,4,9-12H2,1-3H3
InChIKeyIAOQHWYSAJRDNZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.85
Rot. Bonds9

About N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylpropan-1-amine

N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylpropan-1-amine (PubChem CID 62456313) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylpropan-1-amine
PubChem CID62456313
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylpropan-1-amine
SMILESCOc1ccc(COCCCNCC(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-13(2)11-16-9-4-10-18-12-14-5-7-15(17-3)8-6-14/h5-8,13,16H,4,9-12H2,1-3H3
InChIKeyIAOQHWYSAJRDNZ-UHFFFAOYSA-N
XLogP2.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.85
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

1-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111181207
N-(3-ethoxypropyl)-2-(4-methoxyphenoxy)propan-1-amine
CID 62571705
N-[3-(4-methoxyphenyl)sulfanylpropyl]-2-methylpropan-1-amine
CID 62584307
N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine
CID 62435035
N-[3-(2-bromo-4-methoxyphenoxy)propyl]-2-methylpropan-1-amine
CID 104708357
1-methoxy-4-(octoxymethyl)benzene
CID 11288168
1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
CID 101026265
2-[(4-methoxyphenyl)methoxy]-N-(2-phenoxyethyl)ethanamine
CID 166769212
N-[[4-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 63492309
2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine
CID 62485131
14-[(4-methoxyphenyl)methoxy]tetradecanal
CID 25186279
5-[(4-methoxyphenyl)methoxy]-2-[3-[(4-methoxyphenyl)methoxy]propyl]pentan-1-ol
CID 11025823

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylpropan-1-amine (CID 62456313) is N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylpropan-1-amine is COc1ccc(COCCCNCC(C)C)cc1.
What is the InChIKey of N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylpropan-1-amine?
The InChIKey is IAOQHWYSAJRDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-13(2)11-16-9-4-10-18-12-14-5-7-15(17-3)8-6-14/h5-8,13,16H,4,9-12H2,1-3H3.
What are the key properties of N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylpropan-1-amine?
N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylpropan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62456313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).