1-(2-heptoxy-4-methoxyphenyl)ethanamine

C16H27NO2 — CID 82000462

IUPAC1-(2-heptoxy-4-methoxyphenyl)ethanamine
SMILESCCCCCCCOc1cc(OC)ccc1C(C)N
InChIInChI=1S/C16H27NO2/c1-4-5-6-7-8-11-19-16-12-14(18-3)9-10-15(16)13(2)17/h9-10,12-13H,4-8,11,17H2,1-3H3
InChIKeyGOUSAEYUOXZSBY-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.06
Rot. Bonds9

About 1-(2-heptoxy-4-methoxyphenyl)ethanamine

1-(2-heptoxy-4-methoxyphenyl)ethanamine (PubChem CID 82000462) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(2-heptoxy-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-heptoxy-4-methoxyphenyl)ethanamine
PubChem CID82000462
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(2-heptoxy-4-methoxyphenyl)ethanamine
SMILESCCCCCCCOc1cc(OC)ccc1C(C)N
InChIInChI=1S/C16H27NO2/c1-4-5-6-7-8-11-19-16-12-14(18-3)9-10-15(16)13(2)17/h9-10,12-13H,4-8,11,17H2,1-3H3
InChIKeyGOUSAEYUOXZSBY-UHFFFAOYSA-N
XLogP4.06
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.06
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

(1R)-1-[4-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104647162
1-(2-heptoxy-4-methoxyphenyl)ethanol
CID 82001545
(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
CID 82001094
(1S)-1-(4-methoxy-2-pent-4-enoxyphenyl)ethanamine
CID 82000062
(1R)-1-[4-methoxy-2-(2-propan-2-ylsulfanylethoxy)phenyl]ethanamine
CID 114268547
(1R)-1-(4-bromo-2-heptoxyphenyl)ethanamine
CID 102946514
(1R)-1-(2-decoxy-4-fluorophenyl)ethanamine
CID 63486431
1-(4-methoxy-2-pent-4-ynoxyphenyl)ethanamine
CID 113374151
(1R)-1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanamine
CID 106722435
(1R)-1-(2-but-3-enoxy-4-methoxyphenyl)ethanamine
CID 82001682
4-[2-(1-aminoethyl)-5-methoxyphenoxy]butan-2-ol
CID 113398869
1-[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine
CID 106450545

Frequently Asked Questions

What is the IUPAC name of 1-(2-heptoxy-4-methoxyphenyl)ethanamine?
The IUPAC name of 1-(2-heptoxy-4-methoxyphenyl)ethanamine (CID 82000462) is 1-(2-heptoxy-4-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(2-heptoxy-4-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(2-heptoxy-4-methoxyphenyl)ethanamine is CCCCCCCOc1cc(OC)ccc1C(C)N.
What is the InChIKey of 1-(2-heptoxy-4-methoxyphenyl)ethanamine?
The InChIKey is GOUSAEYUOXZSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-5-6-7-8-11-19-16-12-14(18-3)9-10-15(16)13(2)17/h9-10,12-13H,4-8,11,17H2,1-3H3.
What are the key properties of 1-(2-heptoxy-4-methoxyphenyl)ethanamine?
1-(2-heptoxy-4-methoxyphenyl)ethanamine has a molecular weight of 265.40 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-heptoxy-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 82000462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).