N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-methylbutan-1-amine;hydrochloride

C15H26ClNO2 — CID 17206683

IUPACN-[(2-ethoxy-3-methoxyphenyl)methyl]-3-methylbutan-1-amine;hydrochloride
SMILESCCOc1c(CNCCC(C)C)cccc1OC.Cl
InChIInChI=1S/C15H25NO2.ClH/c1-5-18-15-13(7-6-8-14(15)17-4)11-16-10-9-12(2)3;/h6-8,12,16H,5,9-11H2,1-4H3;1H
InChIKeyRVNXZFMLPRRAGC-UHFFFAOYSA-N
MW287.83 g/mol
LogP3.65
Rot. Bonds8

About N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-methylbutan-1-amine;hydrochloride

N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-methylbutan-1-amine;hydrochloride (PubChem CID 17206683) has the molecular formula C15H26ClNO2 and a molecular weight of 287.83 g/mol. Its IUPAC name is N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2-ethoxy-3-methoxyphenyl)methyl]-3-methylbutan-1-amine;hydrochloride
PubChem CID17206683
Molecular FormulaC15H26ClNO2
Molecular Weight287.83 g/mol
Exact Mass287.17
IUPAC NameN-[(2-ethoxy-3-methoxyphenyl)methyl]-3-methylbutan-1-amine;hydrochloride
SMILESCCOc1c(CNCCC(C)C)cccc1OC.Cl
InChIInChI=1S/C15H25NO2.ClH/c1-5-18-15-13(7-6-8-14(15)17-4)11-16-10-9-12(2)3;/h6-8,12,16H,5,9-11H2,1-4H3;1H
InChIKeyRVNXZFMLPRRAGC-UHFFFAOYSA-N
XLogP3.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 53.65
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-[(2-ethoxy-3-methoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17208974
N-[[3-methoxy-2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 83152328
N-[[2-(ethoxymethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 65369404
N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 54848630
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43388382
N-[[2-(2-ethylbutoxy)-3-methoxyphenyl]methyl]propan-1-amine
CID 82927622
N-[[3-methoxy-2-(2-methylpropoxy)phenyl]methyl]-2-phenylethanamine
CID 39455826
2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine
CID 39356672
N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-2-amine
CID 43472032
N-[(2-ethoxy-3-methoxyphenyl)methyl]-4-propan-2-ylaniline
CID 39422650
2-[(2-ethoxy-3-methoxyphenyl)methylamino]propanoic acid
CID 66525793

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-methylbutan-1-amine;hydrochloride?
The IUPAC name of N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-methylbutan-1-amine;hydrochloride (CID 17206683) is N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-methylbutan-1-amine;hydrochloride?
The canonical SMILES for N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-methylbutan-1-amine;hydrochloride is CCOc1c(CNCCC(C)C)cccc1OC.Cl.
What is the InChIKey of N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-methylbutan-1-amine;hydrochloride?
The InChIKey is RVNXZFMLPRRAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2.ClH/c1-5-18-15-13(7-6-8-14(15)17-4)11-16-10-9-12(2)3;/h6-8,12,16H,5,9-11H2,1-4H3;1H.
What are the key properties of N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-methylbutan-1-amine;hydrochloride?
N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-methylbutan-1-amine;hydrochloride has a molecular weight of 287.83 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 17206683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).