N-[[2-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine

C15H22ClNO2 — CID 63062322

IUPACN-[[2-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
SMILESC=C(Cl)COc1ccc(OC)cc1CNC(C)(C)C
InChIInChI=1S/C15H22ClNO2/c1-11(16)10-19-14-7-6-13(18-5)8-12(14)9-17-15(2,3)4/h6-8,17H,1,9-10H2,2-5H3
InChIKeyPCAMUOCXCLHZRT-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.71
Rot. Bonds6

About N-[[2-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine

N-[[2-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63062322) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[[2-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
PubChem CID63062322
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC NameN-[[2-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
SMILESC=C(Cl)COc1ccc(OC)cc1CNC(C)(C)C
InChIInChI=1S/C15H22ClNO2/c1-11(16)10-19-14-7-6-13(18-5)8-12(14)9-17-15(2,3)4/h6-8,17H,1,9-10H2,2-5H3
InChIKeyPCAMUOCXCLHZRT-UHFFFAOYSA-N
XLogP3.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 55148561
N-[[2-(2,2-difluoroethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63062836
N-[[5-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63061280
N-[[5-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine
CID 60880606
N-[[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 55146050
2-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanamine
CID 61268017
N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056468
N-[[5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115978924
N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79784061
2-(2-chloroprop-2-enoxy)-4-methoxybenzaldehyde
CID 60746518
N-[[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056447
1-[2-(2-chloroprop-2-enoxy)-5-fluorophenyl]-N-methylmethanamine
CID 107695216

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine (CID 63062322) is N-[[2-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine is C=C(Cl)COc1ccc(OC)cc1CNC(C)(C)C.
What is the InChIKey of N-[[2-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is PCAMUOCXCLHZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-11(16)10-19-14-7-6-13(18-5)8-12(14)9-17-15(2,3)4/h6-8,17H,1,9-10H2,2-5H3.
What are the key properties of N-[[2-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine?
N-[[2-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 283.80 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63062322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).