N-[[3-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine

C15H25NO2 — CID 62442424

IUPACN-[[3-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine
SMILESCOCCCOCc1cccc(CNC(C)C)c1
InChIInChI=1S/C15H25NO2/c1-13(2)16-11-14-6-4-7-15(10-14)12-18-9-5-8-17-3/h4,6-7,10,13,16H,5,8-9,11-12H2,1-3H3
InChIKeyHTIVCOKQMVODAB-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.74
Rot. Bonds9

About N-[[3-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine

N-[[3-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine (PubChem CID 62442424) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[3-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine
PubChem CID62442424
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[[3-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine
SMILESCOCCCOCc1cccc(CNC(C)C)c1
InChIInChI=1S/C15H25NO2/c1-13(2)16-11-14-6-4-7-15(10-14)12-18-9-5-8-17-3/h4,6-7,10,13,16H,5,8-9,11-12H2,1-3H3
InChIKeyHTIVCOKQMVODAB-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
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-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methyl]propan-2-amine
CID 103406401
N-[[4-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine
CID 62441668
N-[[3-(2-cyclobutylethoxymethyl)phenyl]methyl]propan-2-amine
CID 106206202
N-[[3-(2-pyrrolidin-1-ylethoxymethyl)phenyl]methyl]propan-2-amine
CID 62460740
N-[[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]methyl]propan-2-amine
CID 104566770
1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62455428
1-bromo-3-[2-(3-methoxypropoxy)ethoxymethyl]benzene
CID 103179398
N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 55077799
N-[[3-methoxy-4-(3-methoxypropoxy)phenyl]methyl]propan-2-amine
CID 54935357
N-[[4-[2-(3-methoxypropoxy)ethylsulfanyl]phenyl]methyl]propan-2-amine
CID 103184284
N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine
CID 61003374

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine (CID 62442424) is N-[[3-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine is COCCCOCc1cccc(CNC(C)C)c1.
What is the InChIKey of N-[[3-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine?
The InChIKey is HTIVCOKQMVODAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-13(2)16-11-14-6-4-7-15(10-14)12-18-9-5-8-17-3/h4,6-7,10,13,16H,5,8-9,11-12H2,1-3H3.
What are the key properties of N-[[3-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine?
N-[[3-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62442424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).