N-[2-(2-chloro-6-fluorophenyl)-1-cyclobutylethyl]propan-1-amine

C15H21ClFN — CID 61079879

IUPACN-[2-(2-chloro-6-fluorophenyl)-1-cyclobutylethyl]propan-1-amine
SMILESCCCNC(Cc1c(F)cccc1Cl)C1CCC1
InChIInChI=1S/C15H21ClFN/c1-2-9-18-15(11-5-3-6-11)10-12-13(16)7-4-8-14(12)17/h4,7-8,11,15,18H,2-3,5-6,9-10H2,1H3
InChIKeyKIBXJDPWVVXCGS-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.19
Rot. Bonds6

About N-[2-(2-chloro-6-fluorophenyl)-1-cyclobutylethyl]propan-1-amine

N-[2-(2-chloro-6-fluorophenyl)-1-cyclobutylethyl]propan-1-amine (PubChem CID 61079879) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is N-[2-(2-chloro-6-fluorophenyl)-1-cyclobutylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-chloro-6-fluorophenyl)-1-cyclobutylethyl]propan-1-amine
PubChem CID61079879
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC NameN-[2-(2-chloro-6-fluorophenyl)-1-cyclobutylethyl]propan-1-amine
SMILESCCCNC(Cc1c(F)cccc1Cl)C1CCC1
InChIInChI=1S/C15H21ClFN/c1-2-9-18-15(11-5-3-6-11)10-12-13(16)7-4-8-14(12)17/h4,7-8,11,15,18H,2-3,5-6,9-10H2,1H3
InChIKeyKIBXJDPWVVXCGS-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-cyclopentyl-N-ethylethanamine
CID 61079872
2-(2-chloro-6-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 63413792
3-(2-chloro-6-fluorophenyl)-1-cyclopropyl-N-propylpropan-1-amine
CID 63355212
N-[1-cyclobutyl-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61063838
N-[2-(2-chloro-6-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]propan-1-amine
CID 115387328
1-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 65398874
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 61276626
1-(2-chloro-6-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 61495709
N-[2-(3-chloro-4-fluorophenyl)-1-cyclohexylethyl]propan-1-amine
CID 103039853
N-[2-(2-chloro-6-fluorophenyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 43494761
N-[2-(2-chloro-4-fluorophenyl)-1-cycloheptylethyl]propan-1-amine
CID 65399267
N-[2-(2,6-dichlorophenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine
CID 80627212

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-1-cyclobutylethyl]propan-1-amine?
The IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-1-cyclobutylethyl]propan-1-amine (CID 61079879) is N-[2-(2-chloro-6-fluorophenyl)-1-cyclobutylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-chloro-6-fluorophenyl)-1-cyclobutylethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-chloro-6-fluorophenyl)-1-cyclobutylethyl]propan-1-amine is CCCNC(Cc1c(F)cccc1Cl)C1CCC1.
What is the InChIKey of N-[2-(2-chloro-6-fluorophenyl)-1-cyclobutylethyl]propan-1-amine?
The InChIKey is KIBXJDPWVVXCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-2-9-18-15(11-5-3-6-11)10-12-13(16)7-4-8-14(12)17/h4,7-8,11,15,18H,2-3,5-6,9-10H2,1H3.
What are the key properties of N-[2-(2-chloro-6-fluorophenyl)-1-cyclobutylethyl]propan-1-amine?
N-[2-(2-chloro-6-fluorophenyl)-1-cyclobutylethyl]propan-1-amine has a molecular weight of 269.79 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-6-fluorophenyl)-1-cyclobutylethyl]propan-1-amine is sourced from PubChem (CID 61079879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).