ethyl 4-[3-(methylaminomethyl)phenoxy]butanimidate

C14H22N2O2 — CID 21294580

IUPACethyl 4-[3-(methylaminomethyl)phenoxy]butanimidate
SMILES[H]/N=C(/CCCOc1cccc(CNC)c1)OCC
InChIInChI=1S/C14H22N2O2/c1-3-17-14(15)8-5-9-18-13-7-4-6-12(10-13)11-16-2/h4,6-7,10,15-16H,3,5,8-9,11H2,1-2H3/b15-14-
InChIKeyLCRROLANXAOUKG-PFONDFGASA-N
MW250.34 g/mol
LogP2.58
Rot. Bonds8

About ethyl 4-[3-(methylaminomethyl)phenoxy]butanimidate

ethyl 4-[3-(methylaminomethyl)phenoxy]butanimidate (PubChem CID 21294580) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl 4-[3-(methylaminomethyl)phenoxy]butanimidate.

Molecular Properties

Compound Nameethyl 4-[3-(methylaminomethyl)phenoxy]butanimidate
PubChem CID21294580
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nameethyl 4-[3-(methylaminomethyl)phenoxy]butanimidate
SMILES[H]/N=C(/CCCOc1cccc(CNC)c1)OCC
InChIInChI=1S/C14H22N2O2/c1-3-17-14(15)8-5-9-18-13-7-4-6-12(10-13)11-16-2/h4,6-7,10,15-16H,3,5,8-9,11H2,1-2H3/b15-14-
InChIKeyLCRROLANXAOUKG-PFONDFGASA-N
XLogP2.58
TPSA54.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-[3-[(dimethylamino)methyl]phenoxy]pentanimidate
CID 70548179
3-[3-(methylaminomethyl)phenoxy]propan-1-ol
CID 57355503
6-[3-(methylaminomethyl)phenoxy]hexan-1-ol
CID 107702363
ethyl 2-[3-(methylaminomethyl)phenoxy]acetate
CID 60882222
4-(3-ethylphenoxy)butanimidamide
CID 24704166
N-ethyl-2-[3-(methylaminomethyl)phenoxy]ethanamine
CID 141109153
1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62459750
N-methyl-1-[3-(3-methylsulfonylpropoxy)phenyl]methanamine
CID 63191009
1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103406632
N-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]propan-1-amine
CID 62416994
1-[3-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103181050
N-methyl-1-[3-(2-pent-4-enoxyethoxy)phenyl]methanamine
CID 79112841

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(methylaminomethyl)phenoxy]butanimidate?
The IUPAC name of ethyl 4-[3-(methylaminomethyl)phenoxy]butanimidate (CID 21294580) is ethyl 4-[3-(methylaminomethyl)phenoxy]butanimidate.
What is the SMILES notation for ethyl 4-[3-(methylaminomethyl)phenoxy]butanimidate?
The canonical SMILES for ethyl 4-[3-(methylaminomethyl)phenoxy]butanimidate is [H]/N=C(/CCCOc1cccc(CNC)c1)OCC.
What is the InChIKey of ethyl 4-[3-(methylaminomethyl)phenoxy]butanimidate?
The InChIKey is LCRROLANXAOUKG-PFONDFGASA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-17-14(15)8-5-9-18-13-7-4-6-12(10-13)11-16-2/h4,6-7,10,15-16H,3,5,8-9,11H2,1-2H3/b15-14-.
What are the key properties of ethyl 4-[3-(methylaminomethyl)phenoxy]butanimidate?
ethyl 4-[3-(methylaminomethyl)phenoxy]butanimidate has a molecular weight of 250.34 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(methylaminomethyl)phenoxy]butanimidate is sourced from PubChem (CID 21294580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).