N-[[4-(2-ethylbutoxy)-3-methoxyphenyl]methyl]-2-methoxyethanamine

C17H29NO3 — CID 82927600

IUPACN-[[4-(2-ethylbutoxy)-3-methoxyphenyl]methyl]-2-methoxyethanamine
SMILESCCC(CC)COc1ccc(CNCCOC)cc1OC
InChIInChI=1S/C17H29NO3/c1-5-14(6-2)13-21-16-8-7-15(11-17(16)20-4)12-18-9-10-19-3/h7-8,11,14,18H,5-6,9-10,12-13H2,1-4H3
InChIKeyUSBUMWVJHYQVDP-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.25
Rot. Bonds11

About N-[[4-(2-ethylbutoxy)-3-methoxyphenyl]methyl]-2-methoxyethanamine

N-[[4-(2-ethylbutoxy)-3-methoxyphenyl]methyl]-2-methoxyethanamine (PubChem CID 82927600) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[[4-(2-ethylbutoxy)-3-methoxyphenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[4-(2-ethylbutoxy)-3-methoxyphenyl]methyl]-2-methoxyethanamine
PubChem CID82927600
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[[4-(2-ethylbutoxy)-3-methoxyphenyl]methyl]-2-methoxyethanamine
SMILESCCC(CC)COc1ccc(CNCCOC)cc1OC
InChIInChI=1S/C17H29NO3/c1-5-14(6-2)13-21-16-8-7-15(11-17(16)20-4)12-18-9-10-19-3/h7-8,11,14,18H,5-6,9-10,12-13H2,1-4H3
InChIKeyUSBUMWVJHYQVDP-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

2-methoxy-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine
CID 39366584
N-[[4-(2-ethylbutoxy)phenyl]methyl]-2-methoxyethanamine
CID 82927436
N-[(4-but-3-ynoxy-3-methoxyphenyl)methyl]-2-methoxyethanamine
CID 63056072
2-methoxy-N-[[4-methoxy-3-(methoxymethoxy)phenyl]methyl]ethanamine
CID 65364721
methyl 3-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 63950518
3-methoxy-N-[(3-methoxy-4-pentoxyphenyl)methyl]propan-1-amine
CID 54849470
1-(diethylamino)-3-[2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]propan-2-ol
CID 45238338
N-[[3-methoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 106449780
N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]octan-1-amine
CID 54807740
2-methoxy-N-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]ethanamine
CID 63056243
N-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]-3-methoxypropan-1-amine
CID 100555664
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 132843684

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethylbutoxy)-3-methoxyphenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[4-(2-ethylbutoxy)-3-methoxyphenyl]methyl]-2-methoxyethanamine (CID 82927600) is N-[[4-(2-ethylbutoxy)-3-methoxyphenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[4-(2-ethylbutoxy)-3-methoxyphenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[4-(2-ethylbutoxy)-3-methoxyphenyl]methyl]-2-methoxyethanamine is CCC(CC)COc1ccc(CNCCOC)cc1OC.
What is the InChIKey of N-[[4-(2-ethylbutoxy)-3-methoxyphenyl]methyl]-2-methoxyethanamine?
The InChIKey is USBUMWVJHYQVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-5-14(6-2)13-21-16-8-7-15(11-17(16)20-4)12-18-9-10-19-3/h7-8,11,14,18H,5-6,9-10,12-13H2,1-4H3.
What are the key properties of N-[[4-(2-ethylbutoxy)-3-methoxyphenyl]methyl]-2-methoxyethanamine?
N-[[4-(2-ethylbutoxy)-3-methoxyphenyl]methyl]-2-methoxyethanamine 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-[[4-(2-ethylbutoxy)-3-methoxyphenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 82927600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).