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

C17H29NO3 — CID 115584619

IUPACN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine
SMILESCOc1cc(CNCCOCC(C)C)ccc1OC(C)C
InChIInChI=1S/C17H29NO3/c1-13(2)12-20-9-8-18-11-15-6-7-16(21-14(3)4)17(10-15)19-5/h6-7,10,13-14,18H,8-9,11-12H2,1-5H3
InChIKeyVOSXGGFOGKBUHS-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.24
Rot. Bonds10

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

N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine (PubChem CID 115584619) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine.

Molecular Properties

Compound NameN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine
PubChem CID115584619
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine
SMILESCOc1cc(CNCCOCC(C)C)ccc1OC(C)C
InChIInChI=1S/C17H29NO3/c1-13(2)12-20-9-8-18-11-15-6-7-16(21-14(3)4)17(10-15)19-5/h6-7,10,13-14,18H,8-9,11-12H2,1-5H3
InChIKeyVOSXGGFOGKBUHS-UHFFFAOYSA-N
XLogP3.24
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.24
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

1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
2-methoxy-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine
CID 39366584
N-[[3-methoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 106449780
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 61483916
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenylethanamine
CID 39422750
N-[(4-methoxy-3-methylphenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 43233324
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methylsulfinylethanamine
CID 115632567
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
CID 28611814
1-(3,4-dimethoxyphenyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine
CID 115713699
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
N-[[4-methoxy-3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106449790

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine?
The IUPAC name of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine (CID 115584619) is N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine.
What is the SMILES notation for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine?
The canonical SMILES for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine is COc1cc(CNCCOCC(C)C)ccc1OC(C)C.
What is the InChIKey of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine?
The InChIKey is VOSXGGFOGKBUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-13(2)12-20-9-8-18-11-15-6-7-16(21-14(3)4)17(10-15)19-5/h6-7,10,13-14,18H,8-9,11-12H2,1-5H3.
What are the key properties of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine?
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine has a molecular weight of 295.42 g/mol, XLogP of 3.24, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine is sourced from PubChem (CID 115584619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).