3-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-amine

C12H18FNO2 — CID 103397334

IUPAC3-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
SMILESCCOCCC(N)c1ccc(OC)cc1F
InChIInChI=1S/C12H18FNO2/c1-3-16-7-6-12(14)10-5-4-9(15-2)8-11(10)13/h4-5,8,12H,3,6-7,14H2,1-2H3
InChIKeyYWYXHQPEIOJTCG-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.26
Rot. Bonds6

About 3-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-amine

3-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-amine (PubChem CID 103397334) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
PubChem CID103397334
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name3-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
SMILESCCOCCC(N)c1ccc(OC)cc1F
InChIInChI=1S/C12H18FNO2/c1-3-16-7-6-12(14)10-5-4-9(15-2)8-11(10)13/h4-5,8,12H,3,6-7,14H2,1-2H3
InChIKeyYWYXHQPEIOJTCG-UHFFFAOYSA-N
XLogP2.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.26
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

(1S)-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
CID 171219591
1-(2-fluoro-4-methoxyphenyl)-4-methoxybutan-1-amine
CID 114856693
(1R)-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171200074
1-(2-fluoro-4-methoxyphenyl)heptan-1-amine
CID 81305340
(1R)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine
CID 171200097
(4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol
CID 171219632
(1S)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171219626
N',N'-diethyl-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
CID 103395679
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
ethyl 6-amino-6-(2-fluoro-4-methoxyphenyl)hexanoate
CID 60861338
ethyl 3-amino-3-(2-fluoro-4-methoxyphenyl)propanoate
CID 165347738
5-amino-5-(2-fluoro-4-methoxyphenyl)pentanoic acid
CID 43561605

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-amine?
The IUPAC name of 3-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-amine (CID 103397334) is 3-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 3-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-amine is CCOCCC(N)c1ccc(OC)cc1F.
What is the InChIKey of 3-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-amine?
The InChIKey is YWYXHQPEIOJTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-3-16-7-6-12(14)10-5-4-9(15-2)8-11(10)13/h4-5,8,12H,3,6-7,14H2,1-2H3.
What are the key properties of 3-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-amine?
3-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-amine has a molecular weight of 227.28 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 103397334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).