[5-methyl-2-(2-propan-2-yloxyethoxy)phenyl]methanamine

C13H21NO2 — CID 63322374

IUPAC[5-methyl-2-(2-propan-2-yloxyethoxy)phenyl]methanamine
SMILESCc1ccc(OCCOC(C)C)c(CN)c1
InChIInChI=1S/C13H21NO2/c1-10(2)15-6-7-16-13-5-4-11(3)8-12(13)9-14/h4-5,8,10H,6-7,9,14H2,1-3H3
InChIKeyVGESHVXZDPYWQC-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.26
Rot. Bonds6

About [5-methyl-2-(2-propan-2-yloxyethoxy)phenyl]methanamine

[5-methyl-2-(2-propan-2-yloxyethoxy)phenyl]methanamine (PubChem CID 63322374) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is [5-methyl-2-(2-propan-2-yloxyethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[5-methyl-2-(2-propan-2-yloxyethoxy)phenyl]methanamine
PubChem CID63322374
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name[5-methyl-2-(2-propan-2-yloxyethoxy)phenyl]methanamine
SMILESCc1ccc(OCCOC(C)C)c(CN)c1
InChIInChI=1S/C13H21NO2/c1-10(2)15-6-7-16-13-5-4-11(3)8-12(13)9-14/h4-5,8,10H,6-7,9,14H2,1-3H3
InChIKeyVGESHVXZDPYWQC-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
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

N-[[5-methyl-2-(2-propan-2-yloxyethoxy)phenyl]methyl]propan-2-amine
CID 63326742
(2-but-3-ynoxy-5-methylphenyl)methanamine
CID 63322863
1-[2-(aminomethyl)-4-methylphenoxy]butan-2-ol
CID 63322818
N-[2-[2-(aminomethyl)-4-methylphenoxy]ethyl]-N-methylcyclopropanamine
CID 114016709
(2-but-2-ynoxy-5-methylphenyl)methanamine
CID 63322467
2-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
CID 63326313
1-[5-methyl-2-(3-methylbutoxy)phenyl]propan-2-amine
CID 55200535
[5-methyl-2-(3-methylbut-2-enoxy)phenyl]methanamine
CID 63322907
2-(aminomethyl)-N,5-dimethyl-N-(2-propan-2-yloxyethyl)aniline
CID 81052636
[2-(2-butan-2-yloxyethoxy)phenyl]methanamine
CID 60903164
[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methanol
CID 61485306
[2-[(2-bromophenyl)methoxy]-5-methylphenyl]methanamine
CID 63322646

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(2-propan-2-yloxyethoxy)phenyl]methanamine?
The IUPAC name of [5-methyl-2-(2-propan-2-yloxyethoxy)phenyl]methanamine (CID 63322374) is [5-methyl-2-(2-propan-2-yloxyethoxy)phenyl]methanamine.
What is the SMILES notation for [5-methyl-2-(2-propan-2-yloxyethoxy)phenyl]methanamine?
The canonical SMILES for [5-methyl-2-(2-propan-2-yloxyethoxy)phenyl]methanamine is Cc1ccc(OCCOC(C)C)c(CN)c1.
What is the InChIKey of [5-methyl-2-(2-propan-2-yloxyethoxy)phenyl]methanamine?
The InChIKey is VGESHVXZDPYWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(2)15-6-7-16-13-5-4-11(3)8-12(13)9-14/h4-5,8,10H,6-7,9,14H2,1-3H3.
What are the key properties of [5-methyl-2-(2-propan-2-yloxyethoxy)phenyl]methanamine?
[5-methyl-2-(2-propan-2-yloxyethoxy)phenyl]methanamine has a molecular weight of 223.32 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(2-propan-2-yloxyethoxy)phenyl]methanamine is sourced from PubChem (CID 63322374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).