1-(2-chloro-6-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine

C17H25ClFNO — CID 103164119

IUPAC1-(2-chloro-6-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1c(F)cccc1Cl)CC1CC(OCC)C1
InChIInChI=1S/C17H25ClFNO/c1-3-20-13(8-12-9-14(10-12)21-4-2)11-15-16(18)6-5-7-17(15)19/h5-7,12-14,20H,3-4,8-11H2,1-2H3
InChIKeyORMNMLKQWYTFNR-UHFFFAOYSA-N
MW313.84 g/mol
LogP4.20
Rot. Bonds8

About 1-(2-chloro-6-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine

1-(2-chloro-6-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine (PubChem CID 103164119) has the molecular formula C17H25ClFNO and a molecular weight of 313.84 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
PubChem CID103164119
Molecular FormulaC17H25ClFNO
Molecular Weight313.84 g/mol
Exact Mass313.16
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1c(F)cccc1Cl)CC1CC(OCC)C1
InChIInChI=1S/C17H25ClFNO/c1-3-20-13(8-12-9-14(10-12)21-4-2)11-15-16(18)6-5-7-17(15)19/h5-7,12-14,20H,3-4,8-11H2,1-2H3
InChIKeyORMNMLKQWYTFNR-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.84
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethoxycyclobutyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 103164148
1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103169265
1-cyclopropyl-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
CID 64906804
1-(2,6-difluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-ol
CID 103166461
1-(2-chloro-6-fluorophenyl)-N-ethyl-4-propoxybutan-2-amine
CID 105105675
1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103168454
1-cycloheptyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114458172
1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methylidenehexan-2-amine
CID 66040411
1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine
CID 63420252
2-(2-chloro-6-fluorophenyl)-1-cyclopentyl-N-ethylethanamine
CID 61079872
1-chloro-2-[(3-ethylcyclobutyl)oxymethyl]-3-fluorobenzene;ethane
CID 178142502
2-(2-chloro-6-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 63413792

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine (CID 103164119) is 1-(2-chloro-6-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine is CCNC(Cc1c(F)cccc1Cl)CC1CC(OCC)C1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine?
The InChIKey is ORMNMLKQWYTFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFNO/c1-3-20-13(8-12-9-14(10-12)21-4-2)11-15-16(18)6-5-7-17(15)19/h5-7,12-14,20H,3-4,8-11H2,1-2H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine?
1-(2-chloro-6-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine has a molecular weight of 313.84 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 103164119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).