N-[[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine

C13H18ClNO2 — CID 61269264

IUPACN-[[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC)cc1OCC=CCl
InChIInChI=1S/C13H18ClNO2/c1-3-15-10-11-5-6-12(16-2)9-13(11)17-8-4-7-14/h4-7,9,15H,3,8,10H2,1-2H3
InChIKeyCYFZKKFAEAMGTN-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.94
Rot. Bonds7

About N-[[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine

N-[[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine (PubChem CID 61269264) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is N-[[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine
PubChem CID61269264
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC NameN-[[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC)cc1OCC=CCl
InChIInChI=1S/C13H18ClNO2/c1-3-15-10-11-5-6-12(16-2)9-13(11)17-8-4-7-14/h4-7,9,15H,3,8,10H2,1-2H3
InChIKeyCYFZKKFAEAMGTN-UHFFFAOYSA-N
XLogP2.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2,3-dichloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine
CID 79168380
1-[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]propan-2-amine
CID 61269127
N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]ethanamine
CID 81107388
N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]propan-1-amine
CID 61268729
1-[2-(ethylaminomethyl)-5-methoxyphenoxy]-2-methylbutan-2-ol
CID 114491840
N-[[2-[(E)-3-chloroprop-2-enoxy]-5-methoxyphenyl]methyl]propan-2-amine
CID 60878155
N-[[4-methoxy-2-(4,4,4-trifluorobutoxy)phenyl]methyl]ethanamine
CID 115513169
N-[(2,4-diethoxyphenyl)methyl]ethanamine
CID 54804724
N-[(2-ethoxy-4-methoxyphenyl)methyl]hydroxylamine
CID 117287000
N-[[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 61268716
2-methoxy-N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63059744
2-[2-(ethylaminomethyl)-5-methoxyphenoxy]-N-prop-2-enylacetamide
CID 61269643

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine (CID 61269264) is N-[[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine is CCNCc1ccc(OC)cc1OCC=CCl.
What is the InChIKey of N-[[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine?
The InChIKey is CYFZKKFAEAMGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-3-15-10-11-5-6-12(16-2)9-13(11)17-8-4-7-14/h4-7,9,15H,3,8,10H2,1-2H3.
What are the key properties of N-[[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine?
N-[[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine has a molecular weight of 255.75 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine is sourced from PubChem (CID 61269264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).