N-[[3-(3-ethoxypropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-1-amine

C17H29NO3 — CID 65176463

IUPACN-[[3-(3-ethoxypropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-1-amine
SMILESCCOCCCOc1cc(CNCC(C)C)ccc1OC
InChIInChI=1S/C17H29NO3/c1-5-20-9-6-10-21-17-11-15(7-8-16(17)19-4)13-18-12-14(2)3/h7-8,11,14,18H,5-6,9-10,12-13H2,1-4H3
InChIKeyMJWODLATKUOVIV-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.25
Rot. Bonds11

About N-[[3-(3-ethoxypropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-1-amine

N-[[3-(3-ethoxypropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-1-amine (PubChem CID 65176463) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[[3-(3-ethoxypropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(3-ethoxypropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-1-amine
PubChem CID65176463
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[[3-(3-ethoxypropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-1-amine
SMILESCCOCCCOc1cc(CNCC(C)C)ccc1OC
InChIInChI=1S/C17H29NO3/c1-5-20-9-6-10-21-17-11-15(7-8-16(17)19-4)13-18-12-14(2)3/h7-8,11,14,18H,5-6,9-10,12-13H2,1-4H3
InChIKeyMJWODLATKUOVIV-UHFFFAOYSA-N
XLogP3.25
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.25
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-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 4717598
N-[[3-(3-ethoxypropoxy)-4-methoxyphenyl]methyl]propan-1-amine
CID 65176289
N-[[3-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 81106033
N-[[4-(3-fluoropropoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 81106899
N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylpropan-1-amine
CID 29227521
N-[[4-(2-ethoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107688883
(2S)-1-[(3-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol
CID 51432607
N-[[4-(3,3-dimethylbutoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63484932
N-[[4-methoxy-3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106449790
N-[[3-ethoxy-4-(3-ethoxypropoxy)phenyl]methyl]propan-2-amine
CID 65176014
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2-dimethoxyethanamine
CID 22226486
N-[[3-fluoro-4-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107688715

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-ethoxypropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-(3-ethoxypropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-1-amine (CID 65176463) is N-[[3-(3-ethoxypropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(3-ethoxypropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-(3-ethoxypropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-1-amine is CCOCCCOc1cc(CNCC(C)C)ccc1OC.
What is the InChIKey of N-[[3-(3-ethoxypropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is MJWODLATKUOVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-5-20-9-6-10-21-17-11-15(7-8-16(17)19-4)13-18-12-14(2)3/h7-8,11,14,18H,5-6,9-10,12-13H2,1-4H3.
What are the key properties of N-[[3-(3-ethoxypropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-1-amine?
N-[[3-(3-ethoxypropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 3.25, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-ethoxypropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65176463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).