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

C14H22FNO — CID 103984333

IUPAC2-(ethoxymethyl)-N-ethyl-3-(3-fluorophenyl)propan-1-amine
SMILESCCNCC(COCC)Cc1cccc(F)c1
InChIInChI=1S/C14H22FNO/c1-3-16-10-13(11-17-4-2)8-12-6-5-7-14(15)9-12/h5-7,9,13,16H,3-4,8,10-11H2,1-2H3
InChIKeyCLBYTVRGOVSYPR-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.63
Rot. Bonds8

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

2-(ethoxymethyl)-N-ethyl-3-(3-fluorophenyl)propan-1-amine (PubChem CID 103984333) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 2-(ethoxymethyl)-N-ethyl-3-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-N-ethyl-3-(3-fluorophenyl)propan-1-amine
PubChem CID103984333
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name2-(ethoxymethyl)-N-ethyl-3-(3-fluorophenyl)propan-1-amine
SMILESCCNCC(COCC)Cc1cccc(F)c1
InChIInChI=1S/C14H22FNO/c1-3-16-10-13(11-17-4-2)8-12-6-5-7-14(15)9-12/h5-7,9,13,16H,3-4,8,10-11H2,1-2H3
InChIKeyCLBYTVRGOVSYPR-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

N-ethyl-2-[(3-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
CID 106456673
2-[(2-chlorophenyl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine
CID 63521196
N-ethyl-2-[(3-fluorophenyl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-amine
CID 67867995
2-(ethoxymethyl)-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 103984391
4-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 55210216
N-ethyl-2-[(3-fluorophenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052991
N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62516253
5-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]pentan-1-amine
CID 65180749
N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62530770
2-[(3-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 63523316
2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 55134646
N-ethyl-3-(3-fluorophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79420915

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-N-ethyl-3-(3-fluorophenyl)propan-1-amine?
The IUPAC name of 2-(ethoxymethyl)-N-ethyl-3-(3-fluorophenyl)propan-1-amine (CID 103984333) is 2-(ethoxymethyl)-N-ethyl-3-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-(ethoxymethyl)-N-ethyl-3-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-(ethoxymethyl)-N-ethyl-3-(3-fluorophenyl)propan-1-amine is CCNCC(COCC)Cc1cccc(F)c1.
What is the InChIKey of 2-(ethoxymethyl)-N-ethyl-3-(3-fluorophenyl)propan-1-amine?
The InChIKey is CLBYTVRGOVSYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-3-16-10-13(11-17-4-2)8-12-6-5-7-14(15)9-12/h5-7,9,13,16H,3-4,8,10-11H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-N-ethyl-3-(3-fluorophenyl)propan-1-amine?
2-(ethoxymethyl)-N-ethyl-3-(3-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-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 103984333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).