2-(3-methoxyphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine

C19H25NO3 — CID 86854917

IUPAC2-(3-methoxyphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCOc1cccc(OCCNCc2cccc(OC(C)C)c2)c1
InChIInChI=1S/C19H25NO3/c1-15(2)23-19-9-4-6-16(12-19)14-20-10-11-22-18-8-5-7-17(13-18)21-3/h4-9,12-13,15,20H,10-11,14H2,1-3H3
InChIKeyTTZLNHUSXIDEKY-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.65
Rot. Bonds9

About 2-(3-methoxyphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine

2-(3-methoxyphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 86854917) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID86854917
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-(3-methoxyphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCOc1cccc(OCCNCc2cccc(OC(C)C)c2)c1
InChIInChI=1S/C19H25NO3/c1-15(2)23-19-9-4-6-16(12-19)14-20-10-11-22-18-8-5-7-17(13-18)21-3/h4-9,12-13,15,20H,10-11,14H2,1-3H3
InChIKeyTTZLNHUSXIDEKY-UHFFFAOYSA-N
XLogP3.65
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 60690670
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787
1-methoxy-4-[(3-propan-2-yloxyphenyl)methylamino]butan-2-ol
CID 103876248
N'-(2-methoxyethyl)-N'-methyl-N-[(3-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 62845370
N'-methyl-N'-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 62634740
2-[(3-methoxyphenyl)methylamino]ethyl 2-methoxyacetate
CID 82533040
3-chloro-N-[(3-methoxyphenyl)methyl]butan-1-amine
CID 65024523
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
ethyl (2R)-2-[3-[[3-(4-methoxyphenoxy)propylamino]methyl]phenoxy]propanoate
CID 70806375
3-methylsulfanyl-N-[(3-propan-2-yloxyphenyl)methyl]butan-1-amine
CID 115604278
1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4721134

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(3-methoxyphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine (CID 86854917) is 2-(3-methoxyphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine is COc1cccc(OCCNCc2cccc(OC(C)C)c2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is TTZLNHUSXIDEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-15(2)23-19-9-4-6-16(12-19)14-20-10-11-22-18-8-5-7-17(13-18)21-3/h4-9,12-13,15,20H,10-11,14H2,1-3H3.
What are the key properties of 2-(3-methoxyphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine?
2-(3-methoxyphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 315.41 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 86854917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).