N-[[3-(1-ethoxypropan-2-yloxymethyl)phenyl]methyl]propan-1-amine

C16H27NO2 — CID 103490482

IUPACN-[[3-(1-ethoxypropan-2-yloxymethyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(COC(C)COCC)c1
InChIInChI=1S/C16H27NO2/c1-4-9-17-11-15-7-6-8-16(10-15)13-19-14(3)12-18-5-2/h6-8,10,14,17H,4-5,9,11-13H2,1-3H3
InChIKeyFXDAHDYFIFCQDM-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.13
Rot. Bonds10

About N-[[3-(1-ethoxypropan-2-yloxymethyl)phenyl]methyl]propan-1-amine

N-[[3-(1-ethoxypropan-2-yloxymethyl)phenyl]methyl]propan-1-amine (PubChem CID 103490482) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[3-(1-ethoxypropan-2-yloxymethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(1-ethoxypropan-2-yloxymethyl)phenyl]methyl]propan-1-amine
PubChem CID103490482
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[[3-(1-ethoxypropan-2-yloxymethyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(COC(C)COCC)c1
InChIInChI=1S/C16H27NO2/c1-4-9-17-11-15-7-6-8-16(10-15)13-19-14(3)12-18-5-2/h6-8,10,14,17H,4-5,9,11-13H2,1-3H3
InChIKeyFXDAHDYFIFCQDM-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.13
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-chlorophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 65125794
N-[[3-(1-ethoxypropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine
CID 103490562
N-[[3-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 82808184
3-(propylaminomethyl)phenol
CID 10725714
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 62445450
N-[[3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 81067727
N-[[3-(pentan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
CID 102987001
N-[[3-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63496452
2-(2,2-difluoroethoxy)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine
CID 103081000
N-methyl-1-[3-(4-methylpentan-2-yloxymethyl)phenyl]methanamine
CID 62443917
N-[[3-(3-ethoxypropylsulfanyl)phenyl]methyl]propan-1-amine
CID 66347667
2-[(3-chlorophenyl)methoxy]-3-methyl-N-propylbutan-1-amine
CID 65125259

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-ethoxypropan-2-yloxymethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(1-ethoxypropan-2-yloxymethyl)phenyl]methyl]propan-1-amine (CID 103490482) is N-[[3-(1-ethoxypropan-2-yloxymethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(1-ethoxypropan-2-yloxymethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(1-ethoxypropan-2-yloxymethyl)phenyl]methyl]propan-1-amine is CCCNCc1cccc(COC(C)COCC)c1.
What is the InChIKey of N-[[3-(1-ethoxypropan-2-yloxymethyl)phenyl]methyl]propan-1-amine?
The InChIKey is FXDAHDYFIFCQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-9-17-11-15-7-6-8-16(10-15)13-19-14(3)12-18-5-2/h6-8,10,14,17H,4-5,9,11-13H2,1-3H3.
What are the key properties of N-[[3-(1-ethoxypropan-2-yloxymethyl)phenyl]methyl]propan-1-amine?
N-[[3-(1-ethoxypropan-2-yloxymethyl)phenyl]methyl]propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.13, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-ethoxypropan-2-yloxymethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 103490482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).