1-(4-chloro-3-fluorophenyl)-2-cyclopropylethanamine

C11H13ClFN — CID 103693328

IUPAC1-(4-chloro-3-fluorophenyl)-2-cyclopropylethanamine
SMILESNC(CC1CC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H13ClFN/c12-9-4-3-8(6-10(9)13)11(14)5-7-1-2-7/h3-4,6-7,11H,1-2,5,14H2
InChIKeyRISIGGRFOFNGOB-UHFFFAOYSA-N
MW213.68 g/mol
LogP3.28
Rot. Bonds3

About 1-(4-chloro-3-fluorophenyl)-2-cyclopropylethanamine

1-(4-chloro-3-fluorophenyl)-2-cyclopropylethanamine (PubChem CID 103693328) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-2-cyclopropylethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-2-cyclopropylethanamine
PubChem CID103693328
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name1-(4-chloro-3-fluorophenyl)-2-cyclopropylethanamine
SMILESNC(CC1CC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H13ClFN/c12-9-4-3-8(6-10(9)13)11(14)5-7-1-2-7/h3-4,6-7,11H,1-2,5,14H2
InChIKeyRISIGGRFOFNGOB-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-3-fluorophenyl)-2-(3,3-difluorocyclopentyl)ethanamine
CID 114225791
1-[4-(aminomethyl)-3-fluorophenyl]-2-cyclopropylethanamine
CID 150062889
(1S)-1-(3-bromo-4-chlorophenyl)-2-cyclopropylethanamine
CID 130840491
(1R)-2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171209483
(1S)-2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 94248825
(1R)-2-cyclopropyl-1-(4-fluorophenyl)ethanamine
CID 94248777
2-cyclopropyl-1-(4-fluorophenyl)ethanamine;hydrochloride
CID 131637709
(1S)-1-(4-chloro-3-fluorophenyl)but-3-en-1-amine
CID 55272750
2-cyclobutyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 65459488
1-(3,4-difluorophenyl)-2-piperidin-4-ylethanamine
CID 116936470
2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride
CID 71757971
(R)-(4-chloro-3-fluorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171209453

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-cyclopropylethanamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-cyclopropylethanamine (CID 103693328) is 1-(4-chloro-3-fluorophenyl)-2-cyclopropylethanamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-2-cyclopropylethanamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-2-cyclopropylethanamine is NC(CC1CC1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-2-cyclopropylethanamine?
The InChIKey is RISIGGRFOFNGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c12-9-4-3-8(6-10(9)13)11(14)5-7-1-2-7/h3-4,6-7,11H,1-2,5,14H2.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-2-cyclopropylethanamine?
1-(4-chloro-3-fluorophenyl)-2-cyclopropylethanamine has a molecular weight of 213.68 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-2-cyclopropylethanamine is sourced from PubChem (CID 103693328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).