N-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)methanamine

C13H21NO3 — CID 82714769

IUPACN-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)methanamine
SMILESCOCCONCc1cccc(OC(C)C)c1
InChIInChI=1S/C13H21NO3/c1-11(2)17-13-6-4-5-12(9-13)10-14-16-8-7-15-3/h4-6,9,11,14H,7-8,10H2,1-3H3
InChIKeyGLRSGOXJOBRTSN-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.14
Rot. Bonds8

About N-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)methanamine

N-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)methanamine (PubChem CID 82714769) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)methanamine
PubChem CID82714769
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)methanamine
SMILESCOCCONCc1cccc(OC(C)C)c1
InChIInChI=1S/C13H21NO3/c1-11(2)17-13-6-4-5-12(9-13)10-14-16-8-7-15-3/h4-6,9,11,14H,7-8,10H2,1-3H3
InChIKeyGLRSGOXJOBRTSN-UHFFFAOYSA-N
XLogP2.14
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787
N'-(2-methoxyethyl)-N'-methyl-N-[(3-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 62845370
N-(2-methoxyethoxy)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 82714881
1-methoxy-4-[(3-propan-2-yloxyphenyl)methylamino]butan-2-ol
CID 103876248
(2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245134
methyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate
CID 54959179
4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pentan-2-amine
CID 61210556
(2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol
CID 114985581
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62455428
2-(3-methoxyphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 86854917
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 63011929
2,2,3,3-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine
CID 79359174

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)methanamine?
The IUPAC name of N-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)methanamine (CID 82714769) is N-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for N-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for N-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)methanamine is COCCONCc1cccc(OC(C)C)c1.
What is the InChIKey of N-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)methanamine?
The InChIKey is GLRSGOXJOBRTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-11(2)17-13-6-4-5-12(9-13)10-14-16-8-7-15-3/h4-6,9,11,14H,7-8,10H2,1-3H3.
What are the key properties of N-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)methanamine?
N-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)methanamine has a molecular weight of 239.31 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 82714769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).