N-[(3,5-dimethyl-4-phenylmethoxyphenyl)methyl]-2-methoxyethanamine

C19H25NO2 — CID 63062517

IUPACN-[(3,5-dimethyl-4-phenylmethoxyphenyl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(C)c(OCc2ccccc2)c(C)c1
InChIInChI=1S/C19H25NO2/c1-15-11-18(13-20-9-10-21-3)12-16(2)19(15)22-14-17-7-5-4-6-8-17/h4-8,11-12,20H,9-10,13-14H2,1-3H3
InChIKeyYGWKLVPRMXBJCD-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.62
Rot. Bonds8

About N-[(3,5-dimethyl-4-phenylmethoxyphenyl)methyl]-2-methoxyethanamine

N-[(3,5-dimethyl-4-phenylmethoxyphenyl)methyl]-2-methoxyethanamine (PubChem CID 63062517) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[(3,5-dimethyl-4-phenylmethoxyphenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-4-phenylmethoxyphenyl)methyl]-2-methoxyethanamine
PubChem CID63062517
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-[(3,5-dimethyl-4-phenylmethoxyphenyl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(C)c(OCc2ccccc2)c(C)c1
InChIInChI=1S/C19H25NO2/c1-15-11-18(13-20-9-10-21-3)12-16(2)19(15)22-14-17-7-5-4-6-8-17/h4-8,11-12,20H,9-10,13-14H2,1-3H3
InChIKeyYGWKLVPRMXBJCD-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
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-methoxy-N-[(3-methyl-2-phenylmethoxyphenyl)methyl]ethanamine
CID 112610278
N-[(3,5-dimethyl-4-pentoxyphenyl)methyl]-2-methoxyethanamine
CID 63062027
N-benzyl-2-methoxyethanamine;fluoromethane
CID 176962791
N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methoxyethanamine
CID 112610838
N-[(6-benzylsulfanyl-5-methyl-3-pyridinyl)methyl]-2-methoxyethanamine
CID 80628187
N-[[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 43276733
1-(3-chloro-5-methyl-4-phenylmethoxyphenyl)-N-methoxymethanamine
CID 117471245
2-methoxy-N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine
CID 170995438
N-benzyl-2-(2,3,6-trimethylphenoxy)ethanamine
CID 39368491
N-[[3,5-dimethyl-4-(oxolan-3-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63062203
1,3-dimethyl-2-phenylmethoxy-5-propan-2-ylbenzene
CID 59709239
3-methoxy-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]propan-1-amine
CID 17209231

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-4-phenylmethoxyphenyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(3,5-dimethyl-4-phenylmethoxyphenyl)methyl]-2-methoxyethanamine (CID 63062517) is N-[(3,5-dimethyl-4-phenylmethoxyphenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(3,5-dimethyl-4-phenylmethoxyphenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(3,5-dimethyl-4-phenylmethoxyphenyl)methyl]-2-methoxyethanamine is COCCNCc1cc(C)c(OCc2ccccc2)c(C)c1.
What is the InChIKey of N-[(3,5-dimethyl-4-phenylmethoxyphenyl)methyl]-2-methoxyethanamine?
The InChIKey is YGWKLVPRMXBJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-15-11-18(13-20-9-10-21-3)12-16(2)19(15)22-14-17-7-5-4-6-8-17/h4-8,11-12,20H,9-10,13-14H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-4-phenylmethoxyphenyl)methyl]-2-methoxyethanamine?
N-[(3,5-dimethyl-4-phenylmethoxyphenyl)methyl]-2-methoxyethanamine has a molecular weight of 299.41 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-4-phenylmethoxyphenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 63062517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).