N-[2-[2-(2-methoxy-4-prop-1-enylphenoxy)ethoxy]ethyl]butan-2-amine

C18H29NO3 — CID 2936136

IUPACN-[2-[2-(2-methoxy-4-prop-1-enylphenoxy)ethoxy]ethyl]butan-2-amine
SMILESCC=Cc1ccc(OCCOCCNC(C)CC)c(OC)c1
InChIInChI=1S/C18H29NO3/c1-5-7-16-8-9-17(18(14-16)20-4)22-13-12-21-11-10-19-15(3)6-2/h5,7-9,14-15,19H,6,10-13H2,1-4H3
InChIKeyWESQFUKAPRTHFY-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.51
Rot. Bonds11

About N-[2-[2-(2-methoxy-4-prop-1-enylphenoxy)ethoxy]ethyl]butan-2-amine

N-[2-[2-(2-methoxy-4-prop-1-enylphenoxy)ethoxy]ethyl]butan-2-amine (PubChem CID 2936136) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is N-[2-[2-(2-methoxy-4-prop-1-enylphenoxy)ethoxy]ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(2-methoxy-4-prop-1-enylphenoxy)ethoxy]ethyl]butan-2-amine
PubChem CID2936136
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC NameN-[2-[2-(2-methoxy-4-prop-1-enylphenoxy)ethoxy]ethyl]butan-2-amine
SMILESCC=Cc1ccc(OCCOCCNC(C)CC)c(OC)c1
InChIInChI=1S/C18H29NO3/c1-5-7-16-8-9-17(18(14-16)20-4)22-13-12-21-11-10-19-15(3)6-2/h5,7-9,14-15,19H,6,10-13H2,1-4H3
InChIKeyWESQFUKAPRTHFY-UHFFFAOYSA-N
XLogP3.51
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]butan-2-amine
CID 20833711
1-[2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene
CID 2285613
[(2S)-butan-2-yl]-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium
CID 2184410
N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-3-methylbutan-1-amine
CID 76946866
N-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl]butan-2-amine
CID 2934297
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine
CID 62582661
2-methoxy-1-[4-(2-propan-2-yloxyphenoxy)butoxy]-4-prop-1-enylbenzene
CID 2898461
N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]aniline
CID 76946846
(2S)-N-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine
CID 2184444
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 888309
N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 76946730
N-[2-[2-(2,5-dichlorophenoxy)ethoxy]ethyl]butan-2-amine
CID 2935622

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methoxy-4-prop-1-enylphenoxy)ethoxy]ethyl]butan-2-amine?
The IUPAC name of N-[2-[2-(2-methoxy-4-prop-1-enylphenoxy)ethoxy]ethyl]butan-2-amine (CID 2936136) is N-[2-[2-(2-methoxy-4-prop-1-enylphenoxy)ethoxy]ethyl]butan-2-amine.
What is the SMILES notation for N-[2-[2-(2-methoxy-4-prop-1-enylphenoxy)ethoxy]ethyl]butan-2-amine?
The canonical SMILES for N-[2-[2-(2-methoxy-4-prop-1-enylphenoxy)ethoxy]ethyl]butan-2-amine is CC=Cc1ccc(OCCOCCNC(C)CC)c(OC)c1.
What is the InChIKey of N-[2-[2-(2-methoxy-4-prop-1-enylphenoxy)ethoxy]ethyl]butan-2-amine?
The InChIKey is WESQFUKAPRTHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-5-7-16-8-9-17(18(14-16)20-4)22-13-12-21-11-10-19-15(3)6-2/h5,7-9,14-15,19H,6,10-13H2,1-4H3.
What are the key properties of N-[2-[2-(2-methoxy-4-prop-1-enylphenoxy)ethoxy]ethyl]butan-2-amine?
N-[2-[2-(2-methoxy-4-prop-1-enylphenoxy)ethoxy]ethyl]butan-2-amine has a molecular weight of 307.43 g/mol, XLogP of 3.51, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methoxy-4-prop-1-enylphenoxy)ethoxy]ethyl]butan-2-amine is sourced from PubChem (CID 2936136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).