2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]ethanamine

C13H21NO2 — CID 94768384

IUPAC2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]ethanamine
SMILESCOc1ccc(COCCN)cc1C(C)C
InChIInChI=1S/C13H21NO2/c1-10(2)12-8-11(9-16-7-6-14)4-5-13(12)15-3/h4-5,8,10H,6-7,9,14H2,1-3H3
InChIKeyWCQMNYAGOQGCNG-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.29
Rot. Bonds6

About 2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]ethanamine

2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]ethanamine (PubChem CID 94768384) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]ethanamine.

Molecular Properties

Compound Name2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]ethanamine
PubChem CID94768384
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]ethanamine
SMILESCOc1ccc(COCCN)cc1C(C)C
InChIInChI=1S/C13H21NO2/c1-10(2)12-8-11(9-16-7-6-14)4-5-13(12)15-3/h4-5,8,10H,6-7,9,14H2,1-3H3
InChIKeyWCQMNYAGOQGCNG-UHFFFAOYSA-N
XLogP2.29
TPSA44.48 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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]acetic acid
CID 94769293
(4-methoxy-3-propan-2-ylphenyl)methyl 2-aminopropanoate
CID 112510480
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
2-[2-methoxy-5-(methoxymethyl)phenyl]propan-1-amine
CID 83884513
2-(aminomethyl)-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutan-1-ol
CID 83926807
[3-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine
CID 116930480
3-N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-3-methylbutane-1,3-diamine
CID 115134689
2-(4-methoxy-3-propan-2-ylphenyl)ethanethiol
CID 82126770
2-(aminomethyl)-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-ol
CID 83926810
2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride
CID 71757143
1-methoxy-4-(4-methylpentyl)-2-propan-2-ylbenzene
CID 163377100
2-[2-chloro-4-(2-methylpropoxymethyl)phenoxy]ethanamine
CID 86168423

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]ethanamine?
The IUPAC name of 2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]ethanamine (CID 94768384) is 2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]ethanamine.
What is the SMILES notation for 2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]ethanamine?
The canonical SMILES for 2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]ethanamine is COc1ccc(COCCN)cc1C(C)C.
What is the InChIKey of 2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]ethanamine?
The InChIKey is WCQMNYAGOQGCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(2)12-8-11(9-16-7-6-14)4-5-13(12)15-3/h4-5,8,10H,6-7,9,14H2,1-3H3.
What are the key properties of 2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]ethanamine?
2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]ethanamine is sourced from PubChem (CID 94768384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).