1-(3-methoxy-4-nonoxyphenyl)ethanamine

C18H31NO2 — CID 43129036

IUPAC1-(3-methoxy-4-nonoxyphenyl)ethanamine
SMILESCCCCCCCCCOc1ccc(C(C)N)cc1OC
InChIInChI=1S/C18H31NO2/c1-4-5-6-7-8-9-10-13-21-17-12-11-16(15(2)19)14-18(17)20-3/h11-12,14-15H,4-10,13,19H2,1-3H3
InChIKeyNEWSLVCPZMDYHR-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.84
Rot. Bonds11

About 1-(3-methoxy-4-nonoxyphenyl)ethanamine

1-(3-methoxy-4-nonoxyphenyl)ethanamine (PubChem CID 43129036) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(3-methoxy-4-nonoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-methoxy-4-nonoxyphenyl)ethanamine
PubChem CID43129036
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-(3-methoxy-4-nonoxyphenyl)ethanamine
SMILESCCCCCCCCCOc1ccc(C(C)N)cc1OC
InChIInChI=1S/C18H31NO2/c1-4-5-6-7-8-9-10-13-21-17-12-11-16(15(2)19)14-18(17)20-3/h11-12,14-15H,4-10,13,19H2,1-3H3
InChIKeyNEWSLVCPZMDYHR-UHFFFAOYSA-N
XLogP4.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.84
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

5-[4-(1-aminoethyl)-2-methoxyphenoxy]pentanenitrile
CID 54966259
5-(1-aminoethyl)-2-heptoxyphenol
CID 67604172
1-(3-chloro-4-hexoxyphenyl)ethanamine
CID 55130353
(1R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethanamine
CID 80699992
2-amino-2-(3-methoxy-4-pentoxyphenyl)acetic acid
CID 16641918
(1R)-1-(3-methoxy-4-pent-4-ynoxyphenyl)ethanamine
CID 113374141
(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
CID 16788840
(1R)-1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 103939561
1-(4-methoxy-3-pentoxyphenyl)ethanol
CID 91655145
bis(4-butoxy-3-methoxyphenyl)methanol
CID 71114416
(1S)-1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 78936711

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-nonoxyphenyl)ethanamine?
The IUPAC name of 1-(3-methoxy-4-nonoxyphenyl)ethanamine (CID 43129036) is 1-(3-methoxy-4-nonoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3-methoxy-4-nonoxyphenyl)ethanamine?
The canonical SMILES for 1-(3-methoxy-4-nonoxyphenyl)ethanamine is CCCCCCCCCOc1ccc(C(C)N)cc1OC.
What is the InChIKey of 1-(3-methoxy-4-nonoxyphenyl)ethanamine?
The InChIKey is NEWSLVCPZMDYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-4-5-6-7-8-9-10-13-21-17-12-11-16(15(2)19)14-18(17)20-3/h11-12,14-15H,4-10,13,19H2,1-3H3.
What are the key properties of 1-(3-methoxy-4-nonoxyphenyl)ethanamine?
1-(3-methoxy-4-nonoxyphenyl)ethanamine has a molecular weight of 293.45 g/mol, XLogP of 4.84, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-nonoxyphenyl)ethanamine is sourced from PubChem (CID 43129036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).