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

C17H26FNO — CID 103164148

IUPAC1-(3-ethoxycyclobutyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
SMILESCCNC(Cc1ccccc1F)CC1CC(OCC)C1
InChIInChI=1S/C17H26FNO/c1-3-19-15(9-13-10-16(11-13)20-4-2)12-14-7-5-6-8-17(14)18/h5-8,13,15-16,19H,3-4,9-12H2,1-2H3
InChIKeyYGSUJIOOZFJYDQ-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.55
Rot. Bonds8

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

1-(3-ethoxycyclobutyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine (PubChem CID 103164148) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
PubChem CID103164148
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name1-(3-ethoxycyclobutyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
SMILESCCNC(Cc1ccccc1F)CC1CC(OCC)C1
InChIInChI=1S/C17H26FNO/c1-3-19-15(9-13-10-16(11-13)20-4-2)12-14-7-5-6-8-17(14)18/h5-8,13,15-16,19H,3-4,9-12H2,1-2H3
InChIKeyYGSUJIOOZFJYDQ-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103169265
1-(2-chloro-6-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103164119
[1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
CID 103170713
[1-(3-ethoxycyclobutyl)-3-(2-methylphenyl)propan-2-yl]hydrazine
CID 103170384
1-(2,3-difluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-ol
CID 103166460
1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103168454
1-(3-ethoxycyclobutyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine
CID 103164130
1-(3-bromo-5-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103169189
1-(2,6-difluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-ol
CID 103166461
1-(2-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine
CID 103169422
N-ethyl-1-(2-fluorophenyl)undecan-2-amine
CID 63416880
1-(2-bromo-3-fluorophenyl)-3-cyclopentyl-N-ethylpropan-2-amine
CID 105020430

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine (CID 103164148) is 1-(3-ethoxycyclobutyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine is CCNC(Cc1ccccc1F)CC1CC(OCC)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine?
The InChIKey is YGSUJIOOZFJYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-3-19-15(9-13-10-16(11-13)20-4-2)12-14-7-5-6-8-17(14)18/h5-8,13,15-16,19H,3-4,9-12H2,1-2H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine?
1-(3-ethoxycyclobutyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine has a molecular weight of 279.40 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 103164148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).