2-(ethoxymethyl)-3-(4-fluorophenyl)propan-1-amine

C12H18FNO — CID 103984184

IUPAC2-(ethoxymethyl)-3-(4-fluorophenyl)propan-1-amine
SMILESCCOCC(CN)Cc1ccc(F)cc1
InChIInChI=1S/C12H18FNO/c1-2-15-9-11(8-14)7-10-3-5-12(13)6-4-10/h3-6,11H,2,7-9,14H2,1H3
InChIKeyUWDCRZLAGLMTHK-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.98
Rot. Bonds6

About 2-(ethoxymethyl)-3-(4-fluorophenyl)propan-1-amine

2-(ethoxymethyl)-3-(4-fluorophenyl)propan-1-amine (PubChem CID 103984184) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-(ethoxymethyl)-3-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-3-(4-fluorophenyl)propan-1-amine
PubChem CID103984184
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name2-(ethoxymethyl)-3-(4-fluorophenyl)propan-1-amine
SMILESCCOCC(CN)Cc1ccc(F)cc1
InChIInChI=1S/C12H18FNO/c1-2-15-9-11(8-14)7-10-3-5-12(13)6-4-10/h3-6,11H,2,7-9,14H2,1H3
InChIKeyUWDCRZLAGLMTHK-UHFFFAOYSA-N
XLogP1.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(chloromethyl)-3-ethoxypropyl]-4-fluorobenzene
CID 103985110
2-(ethoxymethyl)-3-(2-methylphenyl)propan-1-amine
CID 103984194
2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine
CID 65479163
1-(2-chloro-4-ethoxybutyl)-4-fluorobenzene
CID 63015899
2-[(4-fluorophenyl)methyl]-4-phenoxybutan-1-amine
CID 62528582
2-[(2-bromo-4-fluorophenyl)methyl]-3-(4-fluorophenyl)propan-1-amine
CID 62529583
2-benzyl-5-ethoxypentan-1-amine
CID 65180415
ethyl (2S)-2-[(4-fluorophenyl)methyl]butanoate
CID 155002155
ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate
CID 7010712
N-[4-ethoxy-2-[(4-fluorophenyl)methyl]butyl]cyclopropanamine
CID 62516255
2-[(5-chloro-2-methoxyphenyl)methyl]-3-(4-fluorophenyl)propan-1-amine
CID 62530368
N-tert-butyl-5-ethoxy-2-[(4-fluorophenyl)methyl]pentan-1-amine
CID 65180744

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-3-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 2-(ethoxymethyl)-3-(4-fluorophenyl)propan-1-amine (CID 103984184) is 2-(ethoxymethyl)-3-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-(ethoxymethyl)-3-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-(ethoxymethyl)-3-(4-fluorophenyl)propan-1-amine is CCOCC(CN)Cc1ccc(F)cc1.
What is the InChIKey of 2-(ethoxymethyl)-3-(4-fluorophenyl)propan-1-amine?
The InChIKey is UWDCRZLAGLMTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-2-15-9-11(8-14)7-10-3-5-12(13)6-4-10/h3-6,11H,2,7-9,14H2,1H3.
What are the key properties of 2-(ethoxymethyl)-3-(4-fluorophenyl)propan-1-amine?
2-(ethoxymethyl)-3-(4-fluorophenyl)propan-1-amine has a molecular weight of 211.28 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-3-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 103984184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).