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

C15H21ClFNO — CID 103169422

IUPAC1-(2-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine
SMILESCCOC1CC(CC(N)Cc2cccc(F)c2Cl)C1
InChIInChI=1S/C15H21ClFNO/c1-2-19-13-7-10(8-13)6-12(18)9-11-4-3-5-14(17)15(11)16/h3-5,10,12-13H,2,6-9,18H2,1H3
InChIKeyDSSPGEZCNIKZEP-UHFFFAOYSA-N
MW285.79 g/mol
LogP3.55
Rot. Bonds6

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

1-(2-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine (PubChem CID 103169422) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine
PubChem CID103169422
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name1-(2-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine
SMILESCCOC1CC(CC(N)Cc2cccc(F)c2Cl)C1
InChIInChI=1S/C15H21ClFNO/c1-2-19-13-7-10(8-13)6-12(18)9-11-4-3-5-14(17)15(11)16/h3-5,10,12-13H,2,6-9,18H2,1H3
InChIKeyDSSPGEZCNIKZEP-UHFFFAOYSA-N
XLogP3.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine
CID 103168436
1-(2,3-difluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-ol
CID 103166460
1-(3-ethoxycyclobutyl)-3-phenylpropan-2-amine
CID 103164095
1-(3-ethoxycyclobutyl)-3-(furan-2-yl)propan-2-amine
CID 103169378
1-(2,6-difluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-ol
CID 103166461
1-(2-chloro-3-fluorophenyl)octan-2-amine
CID 105032513
1-(2-chloro-3-fluorophenyl)nonan-2-amine
CID 105032502
[1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
CID 103170713
1-(3-ethoxycyclobutyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 103164148
1-(3-ethoxycyclobutyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 103168394
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine (CID 103169422) is 1-(2-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine is CCOC1CC(CC(N)Cc2cccc(F)c2Cl)C1.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine?
The InChIKey is DSSPGEZCNIKZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-2-19-13-7-10(8-13)6-12(18)9-11-4-3-5-14(17)15(11)16/h3-5,10,12-13H,2,6-9,18H2,1H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine?
1-(2-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine has a molecular weight of 285.79 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine is sourced from PubChem (CID 103169422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).