2-benzyl-N-ethyl-3-methoxypropan-1-amine

C13H21NO — CID 103984212

IUPAC2-benzyl-N-ethyl-3-methoxypropan-1-amine
SMILESCCNCC(COC)Cc1ccccc1
InChIInChI=1S/C13H21NO/c1-3-14-10-13(11-15-2)9-12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3
InChIKeyVWKZXSQHKNGUAR-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.10
Rot. Bonds7

About 2-benzyl-N-ethyl-3-methoxypropan-1-amine

2-benzyl-N-ethyl-3-methoxypropan-1-amine (PubChem CID 103984212) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-benzyl-N-ethyl-3-methoxypropan-1-amine.

Molecular Properties

Compound Name2-benzyl-N-ethyl-3-methoxypropan-1-amine
PubChem CID103984212
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-benzyl-N-ethyl-3-methoxypropan-1-amine
SMILESCCNCC(COC)Cc1ccccc1
InChIInChI=1S/C13H21NO/c1-3-14-10-13(11-15-2)9-12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3
InChIKeyVWKZXSQHKNGUAR-UHFFFAOYSA-N
XLogP2.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(methoxymethyl)-3-(4-methylphenyl)propan-1-amine
CID 103984265
[(1R,2S)-2-benzyl-1-deuterio-3-methoxypropyl]benzene
CID 136901487
2-benzyl-3-(4-chlorophenyl)-N-ethylpropan-1-amine
CID 63496180
2-benzyl-4-methoxy-N-(2-methylpropyl)butan-1-amine
CID 62530667
2-benzyl-N-(2-methoxyethyl)hexan-1-amine
CID 62725458
2-(methoxymethyl)-3-(3-methylphenyl)-N-propylpropan-1-amine
CID 113361832
2-benzyl-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 62725640
N-ethyl-2-[(4-fluorophenyl)methyl]-4-methoxybutan-1-amine
CID 62516080
ethane;N-ethyl-2-methyl-3-phenylpropan-1-amine
CID 91246337
2-benzyl-3-phenyl-N-propylpropan-1-amine
CID 62530255
2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649362
[4-methoxy-2-(2-methoxyethyl)butyl]benzene
CID 175035100

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-ethyl-3-methoxypropan-1-amine?
The IUPAC name of 2-benzyl-N-ethyl-3-methoxypropan-1-amine (CID 103984212) is 2-benzyl-N-ethyl-3-methoxypropan-1-amine.
What is the SMILES notation for 2-benzyl-N-ethyl-3-methoxypropan-1-amine?
The canonical SMILES for 2-benzyl-N-ethyl-3-methoxypropan-1-amine is CCNCC(COC)Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-ethyl-3-methoxypropan-1-amine?
The InChIKey is VWKZXSQHKNGUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-14-10-13(11-15-2)9-12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3.
What are the key properties of 2-benzyl-N-ethyl-3-methoxypropan-1-amine?
2-benzyl-N-ethyl-3-methoxypropan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-ethyl-3-methoxypropan-1-amine is sourced from PubChem (CID 103984212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).