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

C15H22FNO — CID 103164107

IUPAC1-(3-ethoxycyclobutyl)-3-(4-fluorophenyl)propan-2-amine
SMILESCCOC1CC(CC(N)Cc2ccc(F)cc2)C1
InChIInChI=1S/C15H22FNO/c1-2-18-15-9-12(10-15)8-14(17)7-11-3-5-13(16)6-4-11/h3-6,12,14-15H,2,7-10,17H2,1H3
InChIKeyDGCMVYWLRHMHHW-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.90
Rot. Bonds6

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

1-(3-ethoxycyclobutyl)-3-(4-fluorophenyl)propan-2-amine (PubChem CID 103164107) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-3-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-3-(4-fluorophenyl)propan-2-amine
PubChem CID103164107
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-(3-ethoxycyclobutyl)-3-(4-fluorophenyl)propan-2-amine
SMILESCCOC1CC(CC(N)Cc2ccc(F)cc2)C1
InChIInChI=1S/C15H22FNO/c1-2-18-15-9-12(10-15)8-14(17)7-11-3-5-13(16)6-4-11/h3-6,12,14-15H,2,7-10,17H2,1H3
InChIKeyDGCMVYWLRHMHHW-UHFFFAOYSA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethoxycyclobutyl)-3-phenylpropan-2-amine
CID 103164095
1-(3-ethoxycyclobutyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 103168394
1-(2-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine
CID 103169422
1-(3-ethoxycyclobutyl)-3-(furan-2-yl)propan-2-amine
CID 103169378
1-(2,4-dichlorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine
CID 103168436
1-bromo-4-[2-bromo-3-(3-ethoxycyclobutyl)propyl]benzene
CID 103166521
2-(3-ethoxycyclobutyl)-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 103162733
2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanamine
CID 103163178
ethyl 3-amino-4-(4-fluorophenyl)butanoate
CID 82351777
1-(3-ethoxycyclobutyl)-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 103164153
1-(3-ethoxycyclobutyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine
CID 103164130
1-(2,6-difluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-ol
CID 103166461

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-3-(4-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-3-(4-fluorophenyl)propan-2-amine (CID 103164107) is 1-(3-ethoxycyclobutyl)-3-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-3-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-3-(4-fluorophenyl)propan-2-amine is CCOC1CC(CC(N)Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-3-(4-fluorophenyl)propan-2-amine?
The InChIKey is DGCMVYWLRHMHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-2-18-15-9-12(10-15)8-14(17)7-11-3-5-13(16)6-4-11/h3-6,12,14-15H,2,7-10,17H2,1H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-3-(4-fluorophenyl)propan-2-amine?
1-(3-ethoxycyclobutyl)-3-(4-fluorophenyl)propan-2-amine has a molecular weight of 251.34 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-3-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 103164107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).