N-[(2-methoxy-5-propan-2-yloxyphenyl)methyl]ethanamine

C13H21NO2 — CID 82553016

IUPACN-[(2-methoxy-5-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNCc1cc(OC(C)C)ccc1OC
InChIInChI=1S/C13H21NO2/c1-5-14-9-11-8-12(16-10(2)3)6-7-13(11)15-4/h6-8,10,14H,5,9H2,1-4H3
InChIKeyUEFZGDZWGMLIJM-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.59
Rot. Bonds6

About N-[(2-methoxy-5-propan-2-yloxyphenyl)methyl]ethanamine

N-[(2-methoxy-5-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 82553016) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(2-methoxy-5-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methoxy-5-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID82553016
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[(2-methoxy-5-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNCc1cc(OC(C)C)ccc1OC
InChIInChI=1S/C13H21NO2/c1-5-14-9-11-8-12(16-10(2)3)6-7-13(11)15-4/h6-8,10,14H,5,9H2,1-4H3
InChIKeyUEFZGDZWGMLIJM-UHFFFAOYSA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2,4-di(propan-2-yloxy)phenyl]methyl]ethanamine
CID 54804735
N-[(2,5-dimethoxyphenyl)methyl]-4-propan-2-yloxyaniline
CID 39424379
3-(2-methoxy-5-propan-2-yloxyphenyl)propanoic acid
CID 82265548
N-[(5-iodo-2-methoxyphenyl)methyl]ethanamine
CID 82552100
2-[(2,5-dimethoxyphenyl)methylamino]acetic acid
CID 43135095
1-[(2,5-dimethoxyphenyl)methylamino]propan-2-yl acetate
CID 82532880
N-[[5-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106449683
1-[(2,5-dimethoxyphenyl)methylamino]pentan-2-ol
CID 111118852
N-[(2,5-dimethoxyphenyl)methyl]butan-2-amine
CID 43177332
2-[4-methoxy-2-(propylaminomethyl)phenoxy]propanamide
CID 43276391
N-[(2,5-dimethoxyphenyl)methyl]-3-(ethylamino)butanamide
CID 62839774
N-[[5-methoxy-2-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine
CID 61483691

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-methoxy-5-propan-2-yloxyphenyl)methyl]ethanamine (CID 82553016) is N-[(2-methoxy-5-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methoxy-5-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-methoxy-5-propan-2-yloxyphenyl)methyl]ethanamine is CCNCc1cc(OC(C)C)ccc1OC.
What is the InChIKey of N-[(2-methoxy-5-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is UEFZGDZWGMLIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-5-14-9-11-8-12(16-10(2)3)6-7-13(11)15-4/h6-8,10,14H,5,9H2,1-4H3.
What are the key properties of N-[(2-methoxy-5-propan-2-yloxyphenyl)methyl]ethanamine?
N-[(2-methoxy-5-propan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 82553016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).