N-[[2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyphenyl]methyl]-2-methylpropan-1-amine

C16H24ClNO2 — CID 106436916

IUPACN-[[2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyphenyl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(OC/C(C)=C/Cl)c(CNCC(C)C)c1
InChIInChI=1S/C16H24ClNO2/c1-12(2)9-18-10-14-7-15(19-4)5-6-16(14)20-11-13(3)8-17/h5-8,12,18H,9-11H2,1-4H3/b13-8+
InChIKeyRVFPGEDRGSYJIL-MDWZMJQESA-N
MW297.83 g/mol
LogP3.96
Rot. Bonds8

About N-[[2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyphenyl]methyl]-2-methylpropan-1-amine

N-[[2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyphenyl]methyl]-2-methylpropan-1-amine (PubChem CID 106436916) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[[2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyphenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyphenyl]methyl]-2-methylpropan-1-amine
PubChem CID106436916
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC NameN-[[2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyphenyl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(OC/C(C)=C/Cl)c(CNCC(C)C)c1
InChIInChI=1S/C16H24ClNO2/c1-12(2)9-18-10-14-7-15(19-4)5-6-16(14)20-11-13(3)8-17/h5-8,12,18H,9-11H2,1-4H3/b13-8+
InChIKeyRVFPGEDRGSYJIL-MDWZMJQESA-N
XLogP3.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyphenyl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[[4-[(E)-3-chloro-2-methylprop-2-enoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine
CID 106436947
N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63500325
methyl 2-[4-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]propanoate
CID 63062325
N-[[5-bromo-2-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]propan-2-amine
CID 106436775
methyl 2-[5-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63058852
N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 119129654
N-[[5-chloro-2-(2-methylprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63057553
N-[(2-fluoro-5-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 167530984
N-[[2-(2,3-dichloroprop-2-enoxy)-5-nitrophenyl]methyl]-2-methylpropan-1-amine
CID 79166849
N-[[5-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine
CID 60880606
1-[(2,5-dimethoxyphenyl)methylamino]propan-2-yl acetate
CID 82532880
N-[[5-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106449683

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyphenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyphenyl]methyl]-2-methylpropan-1-amine (CID 106436916) is N-[[2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyphenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyphenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyphenyl]methyl]-2-methylpropan-1-amine is COc1ccc(OC/C(C)=C/Cl)c(CNCC(C)C)c1.
What is the InChIKey of N-[[2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyphenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is RVFPGEDRGSYJIL-MDWZMJQESA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-12(2)9-18-10-14-7-15(19-4)5-6-16(14)20-11-13(3)8-17/h5-8,12,18H,9-11H2,1-4H3/b13-8+.
What are the key properties of N-[[2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyphenyl]methyl]-2-methylpropan-1-amine?
N-[[2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyphenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 297.83 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyphenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 106436916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).