4-(2-methoxyethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine

C17H27NO3 — CID 115600231

IUPAC4-(2-methoxyethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine
SMILESC=CCOc1ccc(CNCCCCOCCOC)cc1
InChIInChI=1S/C17H27NO3/c1-3-11-21-17-8-6-16(7-9-17)15-18-10-4-5-12-20-14-13-19-2/h3,6-9,18H,1,4-5,10-15H2,2H3
InChIKeyXCUGCSFMNZKXDV-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.78
Rot. Bonds13

About 4-(2-methoxyethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine

4-(2-methoxyethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine (PubChem CID 115600231) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine
PubChem CID115600231
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name4-(2-methoxyethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine
SMILESC=CCOc1ccc(CNCCCCOCCOC)cc1
InChIInChI=1S/C17H27NO3/c1-3-11-21-17-8-6-16(7-9-17)15-18-10-4-5-12-20-14-13-19-2/h3,6-9,18H,1,4-5,10-15H2,2H3
InChIKeyXCUGCSFMNZKXDV-UHFFFAOYSA-N
XLogP2.78
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(4-prop-2-enoxyphenyl)methyl]hexadecan-1-amine
CID 54847664
N-[(4-prop-2-enoxyphenyl)methyl]hexan-1-amine;hydrochloride
CID 17291144
3-(cyclopropylmethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 28719822
4-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 115600157
N',N'-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17293221
N-[[4-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54797438
[4-[[3-(2-methoxyethoxy)propylamino]methyl]phenyl]methanol
CID 107230997
N-methoxy-1-(4-prop-2-enoxyphenyl)methanamine
CID 82706596
2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55146437
3-(2-methoxyethoxy)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 28720665
N-[(4-hexoxyphenyl)methyl]hexan-1-amine
CID 54807832
2-methyl-N-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]propanamide
CID 28651449

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine?
The IUPAC name of 4-(2-methoxyethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine (CID 115600231) is 4-(2-methoxyethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine?
The canonical SMILES for 4-(2-methoxyethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine is C=CCOc1ccc(CNCCCCOCCOC)cc1.
What is the InChIKey of 4-(2-methoxyethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine?
The InChIKey is XCUGCSFMNZKXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-11-21-17-8-6-16(7-9-17)15-18-10-4-5-12-20-14-13-19-2/h3,6-9,18H,1,4-5,10-15H2,2H3.
What are the key properties of 4-(2-methoxyethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine?
4-(2-methoxyethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 2.78, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine is sourced from PubChem (CID 115600231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).