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

C17H29NO2 — CID 63062027

IUPACN-[(3,5-dimethyl-4-pentoxyphenyl)methyl]-2-methoxyethanamine
SMILESCCCCCOc1c(C)cc(CNCCOC)cc1C
InChIInChI=1S/C17H29NO2/c1-5-6-7-9-20-17-14(2)11-16(12-15(17)3)13-18-8-10-19-4/h11-12,18H,5-10,13H2,1-4H3
InChIKeyVBMGJMCCRLDMRN-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.61
Rot. Bonds10

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

N-[(3,5-dimethyl-4-pentoxyphenyl)methyl]-2-methoxyethanamine (PubChem CID 63062027) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[(3,5-dimethyl-4-pentoxyphenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-4-pentoxyphenyl)methyl]-2-methoxyethanamine
PubChem CID63062027
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[(3,5-dimethyl-4-pentoxyphenyl)methyl]-2-methoxyethanamine
SMILESCCCCCOc1c(C)cc(CNCCOC)cc1C
InChIInChI=1S/C17H29NO2/c1-5-6-7-9-20-17-14(2)11-16(12-15(17)3)13-18-8-10-19-4/h11-12,18H,5-10,13H2,1-4H3
InChIKeyVBMGJMCCRLDMRN-UHFFFAOYSA-N
XLogP3.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.61
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-[(3,5-difluoro-4-pentoxyphenyl)methyl]-2-methoxyethanamine
CID 79891677
1-(4-hexoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 43276625
N-[(3,5-dimethyl-4-phenylmethoxyphenyl)methyl]-2-methoxyethanamine
CID 63062517
N-[[4-(4-methoxybutoxy)-3,5-dimethylphenyl]methyl]-2-methylpropan-1-amine
CID 104647029
N-[[4-(3-ethoxypropoxy)-3,5-dimethylphenyl]methyl]propan-1-amine
CID 65176339
N-[[3,5-dibromo-4-(4-methoxybutoxy)phenyl]methyl]-2-methoxyethanamine
CID 107744687
N-[(4-ethoxy-3,5-dimethylphenyl)methyl]propan-1-amine
CID 43276749
N-[[3,5-dimethyl-4-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 43276751
1-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]-3-methoxypropan-2-ol
CID 63928760
N-[[3,5-dimethyl-4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
CID 64553318
N-[[3,5-dimethyl-4-(3-methylbut-3-enoxy)phenyl]methyl]propan-1-amine
CID 114471398
N-[(3-bromo-4-hexoxyphenyl)methyl]-2-methoxyethanamine
CID 63501576

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-4-pentoxyphenyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(3,5-dimethyl-4-pentoxyphenyl)methyl]-2-methoxyethanamine (CID 63062027) is N-[(3,5-dimethyl-4-pentoxyphenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(3,5-dimethyl-4-pentoxyphenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(3,5-dimethyl-4-pentoxyphenyl)methyl]-2-methoxyethanamine is CCCCCOc1c(C)cc(CNCCOC)cc1C.
What is the InChIKey of N-[(3,5-dimethyl-4-pentoxyphenyl)methyl]-2-methoxyethanamine?
The InChIKey is VBMGJMCCRLDMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-6-7-9-20-17-14(2)11-16(12-15(17)3)13-18-8-10-19-4/h11-12,18H,5-10,13H2,1-4H3.
What are the key properties of N-[(3,5-dimethyl-4-pentoxyphenyl)methyl]-2-methoxyethanamine?
N-[(3,5-dimethyl-4-pentoxyphenyl)methyl]-2-methoxyethanamine has a molecular weight of 279.42 g/mol, XLogP of 3.61, 10 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-pentoxyphenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 63062027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).