2-(ethoxymethyl)-N-ethyl-3-(2-fluorophenyl)propan-1-amine

C14H22FNO — CID 103984391

IUPAC2-(ethoxymethyl)-N-ethyl-3-(2-fluorophenyl)propan-1-amine
SMILESCCNCC(COCC)Cc1ccccc1F
InChIInChI=1S/C14H22FNO/c1-3-16-10-12(11-17-4-2)9-13-7-5-6-8-14(13)15/h5-8,12,16H,3-4,9-11H2,1-2H3
InChIKeyFTVNNCYTUDHDAY-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.63
Rot. Bonds8

About 2-(ethoxymethyl)-N-ethyl-3-(2-fluorophenyl)propan-1-amine

2-(ethoxymethyl)-N-ethyl-3-(2-fluorophenyl)propan-1-amine (PubChem CID 103984391) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 2-(ethoxymethyl)-N-ethyl-3-(2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-N-ethyl-3-(2-fluorophenyl)propan-1-amine
PubChem CID103984391
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name2-(ethoxymethyl)-N-ethyl-3-(2-fluorophenyl)propan-1-amine
SMILESCCNCC(COCC)Cc1ccccc1F
InChIInChI=1S/C14H22FNO/c1-3-16-10-12(11-17-4-2)9-13-7-5-6-8-14(13)15/h5-8,12,16H,3-4,9-11H2,1-2H3
InChIKeyFTVNNCYTUDHDAY-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethoxymethyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine
CID 113361847
2-(ethoxymethyl)-3-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 103984394
2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 63522301
N-ethyl-2-[(2-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
CID 106456726
2-(ethoxymethyl)-N-ethyl-3-(3-fluorophenyl)propan-1-amine
CID 103984333
N-ethyl-2-[(2-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine
CID 65489511
2-[(2-fluorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 103984662
5-ethoxy-2-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 65181083
N-ethyl-5-ethylsulfonyl-2-[(2-fluorophenyl)methyl]pentan-1-amine
CID 65097228
2-[(4-bromothiophen-2-yl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 62515968
1-(2-ethylbutyl)-2-fluorobenzene
CID 139973427
N-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053035

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-N-ethyl-3-(2-fluorophenyl)propan-1-amine?
The IUPAC name of 2-(ethoxymethyl)-N-ethyl-3-(2-fluorophenyl)propan-1-amine (CID 103984391) is 2-(ethoxymethyl)-N-ethyl-3-(2-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-(ethoxymethyl)-N-ethyl-3-(2-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-(ethoxymethyl)-N-ethyl-3-(2-fluorophenyl)propan-1-amine is CCNCC(COCC)Cc1ccccc1F.
What is the InChIKey of 2-(ethoxymethyl)-N-ethyl-3-(2-fluorophenyl)propan-1-amine?
The InChIKey is FTVNNCYTUDHDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-3-16-10-12(11-17-4-2)9-13-7-5-6-8-14(13)15/h5-8,12,16H,3-4,9-11H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-N-ethyl-3-(2-fluorophenyl)propan-1-amine?
2-(ethoxymethyl)-N-ethyl-3-(2-fluorophenyl)propan-1-amine has a molecular weight of 239.33 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-N-ethyl-3-(2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 103984391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).