N-[2-(2-chloro-4-fluorophenyl)-1-cyclopropylethyl]propan-1-amine

C14H19ClFN — CID 55095503

IUPACN-[2-(2-chloro-4-fluorophenyl)-1-cyclopropylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1Cl)C1CC1
InChIInChI=1S/C14H19ClFN/c1-2-7-17-14(10-3-4-10)8-11-5-6-12(16)9-13(11)15/h5-6,9-10,14,17H,2-4,7-8H2,1H3
InChIKeyTZHMYGPSDGCZBO-UHFFFAOYSA-N
MW255.76 g/mol
LogP3.80
Rot. Bonds6

About N-[2-(2-chloro-4-fluorophenyl)-1-cyclopropylethyl]propan-1-amine

N-[2-(2-chloro-4-fluorophenyl)-1-cyclopropylethyl]propan-1-amine (PubChem CID 55095503) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenyl)-1-cyclopropylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenyl)-1-cyclopropylethyl]propan-1-amine
PubChem CID55095503
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC NameN-[2-(2-chloro-4-fluorophenyl)-1-cyclopropylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1Cl)C1CC1
InChIInChI=1S/C14H19ClFN/c1-2-7-17-14(10-3-4-10)8-11-5-6-12(16)9-13(11)15/h5-6,9-10,14,17H,2-4,7-8H2,1H3
InChIKeyTZHMYGPSDGCZBO-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2-chloro-4-fluorophenyl)-1-cycloheptylethyl]propan-1-amine
CID 65399267
N-[2-(2-chloro-4-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]propan-1-amine
CID 115337034
N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(2-chloro-4-fluorophenyl)ethyl]propan-1-amine
CID 115840407
N-[2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
CID 107188252
N-[2-(2,4-difluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 63415659
N-[2-(4-fluoro-2-methylphenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 114347799
N-[2-(2-chloro-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115840490
N-[2-(2-chloro-5-fluorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 102618966
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 63936685
N-[2-(4-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 114855459
N-[2-(2-chloro-4-fluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65352793
N-[2-(2,4-difluorophenyl)-1-(3-methylcyclopentyl)ethyl]propan-1-amine
CID 65414201

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenyl)-1-cyclopropylethyl]propan-1-amine?
The IUPAC name of N-[2-(2-chloro-4-fluorophenyl)-1-cyclopropylethyl]propan-1-amine (CID 55095503) is N-[2-(2-chloro-4-fluorophenyl)-1-cyclopropylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenyl)-1-cyclopropylethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenyl)-1-cyclopropylethyl]propan-1-amine is CCCNC(Cc1ccc(F)cc1Cl)C1CC1.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenyl)-1-cyclopropylethyl]propan-1-amine?
The InChIKey is TZHMYGPSDGCZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-2-7-17-14(10-3-4-10)8-11-5-6-12(16)9-13(11)15/h5-6,9-10,14,17H,2-4,7-8H2,1H3.
What are the key properties of N-[2-(2-chloro-4-fluorophenyl)-1-cyclopropylethyl]propan-1-amine?
N-[2-(2-chloro-4-fluorophenyl)-1-cyclopropylethyl]propan-1-amine has a molecular weight of 255.76 g/mol, XLogP of 3.80, 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-4-fluorophenyl)-1-cyclopropylethyl]propan-1-amine is sourced from PubChem (CID 55095503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).