N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenylethanamine

C19H25NO2 — CID 39422750

IUPACN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenylethanamine
SMILESCOc1cc(CNCCc2ccccc2)ccc1OC(C)C
InChIInChI=1S/C19H25NO2/c1-15(2)22-18-10-9-17(13-19(18)21-3)14-20-12-11-16-7-5-4-6-8-16/h4-10,13,15,20H,11-12,14H2,1-3H3
InChIKeyJMUDJXUCYLPHTJ-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.81
Rot. Bonds8

About N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenylethanamine

N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenylethanamine (PubChem CID 39422750) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenylethanamine
PubChem CID39422750
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenylethanamine
SMILESCOc1cc(CNCCc2ccccc2)ccc1OC(C)C
InChIInChI=1S/C19H25NO2/c1-15(2)22-18-10-9-17(13-19(18)21-3)14-20-12-11-16-7-5-4-6-8-16/h4-10,13,15,20H,11-12,14H2,1-3H3
InChIKeyJMUDJXUCYLPHTJ-UHFFFAOYSA-N
XLogP3.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.81
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-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
CID 28611814
(2R)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-phenylbutan-2-amine
CID 51989816
1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17367645
2-(1H-benzimidazol-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine
CID 66527326
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine
CID 4719341
2-(4-fluorophenyl)-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 4724668
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584619
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methylsulfinylethanamine
CID 115632567
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylethanamine
CID 4715731
4,4,4-trifluoro-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]butan-1-amine
CID 79037389
1-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 43391975

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenylethanamine?
The IUPAC name of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenylethanamine (CID 39422750) is N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenylethanamine.
What is the SMILES notation for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenylethanamine?
The canonical SMILES for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenylethanamine is COc1cc(CNCCc2ccccc2)ccc1OC(C)C.
What is the InChIKey of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenylethanamine?
The InChIKey is JMUDJXUCYLPHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-15(2)22-18-10-9-17(13-19(18)21-3)14-20-12-11-16-7-5-4-6-8-16/h4-10,13,15,20H,11-12,14H2,1-3H3.
What are the key properties of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenylethanamine?
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenylethanamine has a molecular weight of 299.41 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenylethanamine is sourced from PubChem (CID 39422750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).