N,N-dimethyl-3-(2-prop-2-enylphenoxy)propan-1-amine

C14H21NO — CID 2184313

IUPACN,N-dimethyl-3-(2-prop-2-enylphenoxy)propan-1-amine
SMILESC=CCc1ccccc1OCCCN(C)C
InChIInChI=1S/C14H21NO/c1-4-8-13-9-5-6-10-14(13)16-12-7-11-15(2)3/h4-6,9-10H,1,7-8,11-12H2,2-3H3
InChIKeyAXZVDJSRGLKAGU-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.75
Rot. Bonds7

About N,N-dimethyl-3-(2-prop-2-enylphenoxy)propan-1-amine

N,N-dimethyl-3-(2-prop-2-enylphenoxy)propan-1-amine (PubChem CID 2184313) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-prop-2-enylphenoxy)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-prop-2-enylphenoxy)propan-1-amine
PubChem CID2184313
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN,N-dimethyl-3-(2-prop-2-enylphenoxy)propan-1-amine
SMILESC=CCc1ccccc1OCCCN(C)C
InChIInChI=1S/C14H21NO/c1-4-8-13-9-5-6-10-14(13)16-12-7-11-15(2)3/h4-6,9-10H,1,7-8,11-12H2,2-3H3
InChIKeyAXZVDJSRGLKAGU-UHFFFAOYSA-N
XLogP2.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-prop-2-enylphenoxy)ethanamine chloride
CID 21228786
2-chloro-N-methyl-N-[2-(2-prop-2-enylphenoxy)ethyl]acetamide
CID 82108611
3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine
CID 22683982
3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 20545015
methyl 4-(2-prop-2-enylphenoxy)butanoate
CID 43608103
4-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine
CID 3055328
1-(methylsulfanylmethoxy)-2-prop-2-enylbenzene
CID 14224427
N,N-dimethyl-4-[2-(2-phenylethyl)phenoxy]butan-1-amine
CID 3055351
N-[(2R)-butan-2-yl]-4-(2-prop-2-enylphenoxy)butan-1-amine
CID 2182519
N-[(2S)-butan-2-yl]-4-(2-prop-2-enylphenoxy)butan-1-amine
CID 2182521
N,N-dimethyl-3-phenyl-3-(2-prop-2-enylphenoxy)propan-1-amine;oxalic acid
CID 12807425
4-methyl-1-[4-(2-prop-2-enylphenoxy)butyl]piperidine
CID 2298260

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-prop-2-enylphenoxy)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(2-prop-2-enylphenoxy)propan-1-amine (CID 2184313) is N,N-dimethyl-3-(2-prop-2-enylphenoxy)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(2-prop-2-enylphenoxy)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(2-prop-2-enylphenoxy)propan-1-amine is C=CCc1ccccc1OCCCN(C)C.
What is the InChIKey of N,N-dimethyl-3-(2-prop-2-enylphenoxy)propan-1-amine?
The InChIKey is AXZVDJSRGLKAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-8-13-9-5-6-10-14(13)16-12-7-11-15(2)3/h4-6,9-10H,1,7-8,11-12H2,2-3H3.
What are the key properties of N,N-dimethyl-3-(2-prop-2-enylphenoxy)propan-1-amine?
N,N-dimethyl-3-(2-prop-2-enylphenoxy)propan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2-prop-2-enylphenoxy)propan-1-amine is sourced from PubChem (CID 2184313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).