N-benzyl-3-(3-ethoxyphenoxy)-N-methylpropan-1-amine

C19H25NO2 — CID 2182253

IUPACN-benzyl-3-(3-ethoxyphenoxy)-N-methylpropan-1-amine
SMILESCCOc1cccc(OCCCN(C)Cc2ccccc2)c1
InChIInChI=1S/C19H25NO2/c1-3-21-18-11-7-12-19(15-18)22-14-8-13-20(2)16-17-9-5-4-6-10-17/h4-7,9-12,15H,3,8,13-14,16H2,1-2H3
InChIKeySNOUPDGTZLIMRY-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.99
Rot. Bonds9

About N-benzyl-3-(3-ethoxyphenoxy)-N-methylpropan-1-amine

N-benzyl-3-(3-ethoxyphenoxy)-N-methylpropan-1-amine (PubChem CID 2182253) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-benzyl-3-(3-ethoxyphenoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-(3-ethoxyphenoxy)-N-methylpropan-1-amine
PubChem CID2182253
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-benzyl-3-(3-ethoxyphenoxy)-N-methylpropan-1-amine
SMILESCCOc1cccc(OCCCN(C)Cc2ccccc2)c1
InChIInChI=1S/C19H25NO2/c1-3-21-18-11-7-12-19(15-18)22-14-8-13-20(2)16-17-9-5-4-6-10-17/h4-7,9-12,15H,3,8,13-14,16H2,1-2H3
InChIKeySNOUPDGTZLIMRY-UHFFFAOYSA-N
XLogP3.99
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 43253622
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2-[(3-ethoxyphenyl)methyl-methylamino]-1-phenylethanone
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CID 90762189
3-[3-[(4-chlorophenyl)methyl-methylamino]propoxy]aniline
CID 61414637
3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865322
N-benzyl-N-methyl-3-naphthalen-1-yloxypropan-1-amine
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2-[methyl-[(3-propoxyphenyl)methyl]amino]acetic acid
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(3-ethoxyphenoxy)-N-methylpropan-1-amine?
The IUPAC name of N-benzyl-3-(3-ethoxyphenoxy)-N-methylpropan-1-amine (CID 2182253) is N-benzyl-3-(3-ethoxyphenoxy)-N-methylpropan-1-amine.
What is the SMILES notation for N-benzyl-3-(3-ethoxyphenoxy)-N-methylpropan-1-amine?
The canonical SMILES for N-benzyl-3-(3-ethoxyphenoxy)-N-methylpropan-1-amine is CCOc1cccc(OCCCN(C)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-(3-ethoxyphenoxy)-N-methylpropan-1-amine?
The InChIKey is SNOUPDGTZLIMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-3-21-18-11-7-12-19(15-18)22-14-8-13-20(2)16-17-9-5-4-6-10-17/h4-7,9-12,15H,3,8,13-14,16H2,1-2H3.
What are the key properties of N-benzyl-3-(3-ethoxyphenoxy)-N-methylpropan-1-amine?
N-benzyl-3-(3-ethoxyphenoxy)-N-methylpropan-1-amine has a molecular weight of 299.41 g/mol, XLogP of 3.99, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(3-ethoxyphenoxy)-N-methylpropan-1-amine is sourced from PubChem (CID 2182253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).