N-[2-(2-methoxy-4-prop-1-enylphenoxy)propyl]-2-methylpropan-2-amine

C17H27NO2 — CID 76946776

IUPACN-[2-(2-methoxy-4-prop-1-enylphenoxy)propyl]-2-methylpropan-2-amine
SMILESCC=Cc1ccc(OC(C)CNC(C)(C)C)c(OC)c1
InChIInChI=1S/C17H27NO2/c1-7-8-14-9-10-15(16(11-14)19-6)20-13(2)12-18-17(3,4)5/h7-11,13,18H,12H2,1-6H3
InChIKeyDBVDSHAMOBWIMA-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.88
Rot. Bonds6

About N-[2-(2-methoxy-4-prop-1-enylphenoxy)propyl]-2-methylpropan-2-amine

N-[2-(2-methoxy-4-prop-1-enylphenoxy)propyl]-2-methylpropan-2-amine (PubChem CID 76946776) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-(2-methoxy-4-prop-1-enylphenoxy)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2-methoxy-4-prop-1-enylphenoxy)propyl]-2-methylpropan-2-amine
PubChem CID76946776
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[2-(2-methoxy-4-prop-1-enylphenoxy)propyl]-2-methylpropan-2-amine
SMILESCC=Cc1ccc(OC(C)CNC(C)(C)C)c(OC)c1
InChIInChI=1S/C17H27NO2/c1-7-8-14-9-10-15(16(11-14)19-6)20-13(2)12-18-17(3,4)5/h7-11,13,18H,12H2,1-6H3
InChIKeyDBVDSHAMOBWIMA-UHFFFAOYSA-N
XLogP3.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol
CID 6125186
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,2,2-trifluoroethyl)propanamide
CID 17393273
2-methoxy-1-(2-methylbutan-2-yloxy)-4-[(Z)-prop-1-enyl]benzene
CID 177482757
2-(2-methoxy-4-prop-1-enylphenoxy)butan-1-amine
CID 76976965
ethyl 2-(2-methoxy-4-prop-1-enylphenoxy)propanoate
CID 76914392
2-methoxy-1-[4-(2-propan-2-yloxyphenoxy)butoxy]-4-prop-1-enylbenzene
CID 2898461
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] 3-methylbutanoate
CID 6428969
2-(2-methoxy-4-prop-1-enylphenoxy)butanehydrazide
CID 76999474
N-ethyl-2-methoxy-4-[(E)-prop-1-enyl]aniline
CID 162444147
N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-3-methylbutan-1-amine
CID 76946866
N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 76946730
1-(2-methoxy-4-prop-1-enylphenoxy)-3-methylbutan-2-one
CID 79395591

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-4-prop-1-enylphenoxy)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(2-methoxy-4-prop-1-enylphenoxy)propyl]-2-methylpropan-2-amine (CID 76946776) is N-[2-(2-methoxy-4-prop-1-enylphenoxy)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(2-methoxy-4-prop-1-enylphenoxy)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(2-methoxy-4-prop-1-enylphenoxy)propyl]-2-methylpropan-2-amine is CC=Cc1ccc(OC(C)CNC(C)(C)C)c(OC)c1.
What is the InChIKey of N-[2-(2-methoxy-4-prop-1-enylphenoxy)propyl]-2-methylpropan-2-amine?
The InChIKey is DBVDSHAMOBWIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-7-8-14-9-10-15(16(11-14)19-6)20-13(2)12-18-17(3,4)5/h7-11,13,18H,12H2,1-6H3.
What are the key properties of N-[2-(2-methoxy-4-prop-1-enylphenoxy)propyl]-2-methylpropan-2-amine?
N-[2-(2-methoxy-4-prop-1-enylphenoxy)propyl]-2-methylpropan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-4-prop-1-enylphenoxy)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 76946776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).