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

C16H28ClNO3 — CID 17208974

IUPACN-[(2-ethoxy-3-methoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
SMILESCCOc1c(CNCCCOC(C)C)cccc1OC.Cl
InChIInChI=1S/C16H27NO3.ClH/c1-5-19-16-14(8-6-9-15(16)18-4)12-17-10-7-11-20-13(2)3;/h6,8-9,13,17H,5,7,10-12H2,1-4H3;1H
InChIKeyVFOKNOLKQWTFEL-UHFFFAOYSA-N
MW317.86 g/mol
LogP3.42
Rot. Bonds10

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

N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride (PubChem CID 17208974) has the molecular formula C16H28ClNO3 and a molecular weight of 317.86 g/mol. Its IUPAC name is N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2-ethoxy-3-methoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
PubChem CID17208974
Molecular FormulaC16H28ClNO3
Molecular Weight317.86 g/mol
Exact Mass317.18
IUPAC NameN-[(2-ethoxy-3-methoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
SMILESCCOc1c(CNCCCOC(C)C)cccc1OC.Cl
InChIInChI=1S/C16H27NO3.ClH/c1-5-19-16-14(8-6-9-15(16)18-4)12-17-10-7-11-20-13(2)3;/h6,8-9,13,17H,5,7,10-12H2,1-4H3;1H
InChIKeyVFOKNOLKQWTFEL-UHFFFAOYSA-N
XLogP3.42
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 53.42
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

N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-methylbutan-1-amine;hydrochloride
CID 17206683
3-propan-2-yloxy-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17209007
N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805393
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]butan-1-amine
CID 39355523
3-ethoxy-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 7991094
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 17206692
N-[(2-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588290
N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]octan-1-amine
CID 54807521
N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 54848630
N-[(3-methoxy-2-octoxyphenyl)methyl]propan-1-amine
CID 54804925
N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155511
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54847674

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride?
The IUPAC name of N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride (CID 17208974) is N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride.
What is the SMILES notation for N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride?
The canonical SMILES for N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride is CCOc1c(CNCCCOC(C)C)cccc1OC.Cl.
What is the InChIKey of N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride?
The InChIKey is VFOKNOLKQWTFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3.ClH/c1-5-19-16-14(8-6-9-15(16)18-4)12-17-10-7-11-20-13(2)3;/h6,8-9,13,17H,5,7,10-12H2,1-4H3;1H.
What are the key properties of N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride?
N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 3.42, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride is sourced from PubChem (CID 17208974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).