N-benzyl-N-methyl-2-(prop-1-en-2-yloxymethoxy)ethanamine

C14H21NO2 — CID 22974533

IUPACN-benzyl-N-methyl-2-(prop-1-en-2-yloxymethoxy)ethanamine
SMILESC=C(C)OCOCCN(C)Cc1ccccc1
InChIInChI=1S/C14H21NO2/c1-13(2)17-12-16-10-9-15(3)11-14-7-5-4-6-8-14/h4-8H,1,9-12H2,2-3H3
InChIKeyHULLVOCBZOLXST-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.64
Rot. Bonds8

About N-benzyl-N-methyl-2-(prop-1-en-2-yloxymethoxy)ethanamine

N-benzyl-N-methyl-2-(prop-1-en-2-yloxymethoxy)ethanamine (PubChem CID 22974533) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(prop-1-en-2-yloxymethoxy)ethanamine.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(prop-1-en-2-yloxymethoxy)ethanamine
PubChem CID22974533
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-benzyl-N-methyl-2-(prop-1-en-2-yloxymethoxy)ethanamine
SMILESC=C(C)OCOCCN(C)Cc1ccccc1
InChIInChI=1S/C14H21NO2/c1-13(2)17-12-16-10-9-15(3)11-14-7-5-4-6-8-14/h4-8H,1,9-12H2,2-3H3
InChIKeyHULLVOCBZOLXST-UHFFFAOYSA-N
XLogP2.64
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[2-[2-[2-[2-[2-[2-[benzyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
CID 176613357
N-benzyl-N-methyl-2-(3-phenylpropoxy)ethanamine
CID 70694658
N-benzyl-N-methyl-2-(3-phenylpropoxy)ethanamine;oxalic acid
CID 70694657
bis[3-[benzyl(methyl)amino]propyl] carbonate
CID 18944362
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
N-benzyl-N-methylbut-3-en-1-amine
CID 10702410
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[benzyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 175886823
bis[3-[benzyl(methyl)amino]propyl] carbonate;hydrate;dihydrochloride
CID 18944361
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
2-[benzyl(methyl)amino]ethyl 3-phenylprop-2-enoate
CID 2908391
N-benzyl-3-bromo-N-methylpropan-1-amine
CID 61288943
bis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone
CID 90685991

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(prop-1-en-2-yloxymethoxy)ethanamine?
The IUPAC name of N-benzyl-N-methyl-2-(prop-1-en-2-yloxymethoxy)ethanamine (CID 22974533) is N-benzyl-N-methyl-2-(prop-1-en-2-yloxymethoxy)ethanamine.
What is the SMILES notation for N-benzyl-N-methyl-2-(prop-1-en-2-yloxymethoxy)ethanamine?
The canonical SMILES for N-benzyl-N-methyl-2-(prop-1-en-2-yloxymethoxy)ethanamine is C=C(C)OCOCCN(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-2-(prop-1-en-2-yloxymethoxy)ethanamine?
The InChIKey is HULLVOCBZOLXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-13(2)17-12-16-10-9-15(3)11-14-7-5-4-6-8-14/h4-8H,1,9-12H2,2-3H3.
What are the key properties of N-benzyl-N-methyl-2-(prop-1-en-2-yloxymethoxy)ethanamine?
N-benzyl-N-methyl-2-(prop-1-en-2-yloxymethoxy)ethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(prop-1-en-2-yloxymethoxy)ethanamine is sourced from PubChem (CID 22974533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).