1-(2-chloro-6-fluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine

C17H25ClFNO — CID 103556904

IUPAC1-(2-chloro-6-fluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1c(F)cccc1Cl)CC1(OC)CCC1
InChIInChI=1S/C17H25ClFNO/c1-3-10-20-13(12-17(21-2)8-5-9-17)11-14-15(18)6-4-7-16(14)19/h4,6-7,13,20H,3,5,8-12H2,1-2H3
InChIKeyRLOVTRPIOLBOHQ-UHFFFAOYSA-N
MW313.84 g/mol
LogP4.35
Rot. Bonds8

About 1-(2-chloro-6-fluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine

1-(2-chloro-6-fluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine (PubChem CID 103556904) has the molecular formula C17H25ClFNO and a molecular weight of 313.84 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
PubChem CID103556904
Molecular FormulaC17H25ClFNO
Molecular Weight313.84 g/mol
Exact Mass313.16
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1c(F)cccc1Cl)CC1(OC)CCC1
InChIInChI=1S/C17H25ClFNO/c1-3-10-20-13(12-17(21-2)8-5-9-17)11-14-15(18)6-4-7-16(14)19/h4,6-7,13,20H,3,5,8-12H2,1-2H3
InChIKeyRLOVTRPIOLBOHQ-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 61495709
1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
CID 103556973
1-(2-chloro-6-fluorophenyl)-5-methoxy-N-propylpentan-2-amine
CID 55145614
1-(2-chloro-6-fluorophenyl)-4-methyl-N-propylhexan-2-amine
CID 63419898
1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 65131448
1-(furan-2-yl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
CID 103559757
2-[2-chloro-3-(1-methoxycyclobutyl)propyl]-1,3-difluorobenzene
CID 103558151
1-(2-chloro-6-fluorophenyl)-N-propylhex-4-yn-2-amine
CID 63022141
1-(1-methoxycyclobutyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 103559792
1-(1-methoxycyclobutyl)-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 103557053
N-[2-(2-chloro-6-fluorophenyl)-1-cyclobutylethyl]propan-1-amine
CID 61079879
1-(1-methoxycyclobutyl)-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 103557055

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine (CID 103556904) is 1-(2-chloro-6-fluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine is CCCNC(Cc1c(F)cccc1Cl)CC1(OC)CCC1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine?
The InChIKey is RLOVTRPIOLBOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFNO/c1-3-10-20-13(12-17(21-2)8-5-9-17)11-14-15(18)6-4-7-16(14)19/h4,6-7,13,20H,3,5,8-12H2,1-2H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine?
1-(2-chloro-6-fluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine has a molecular weight of 313.84 g/mol, XLogP of 4.35, 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-(1-methoxycyclobutyl)-N-propylpropan-2-amine is sourced from PubChem (CID 103556904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).