N-[(2-chloro-6-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine

C18H19ClFN — CID 105052491

IUPACN-[(2-chloro-6-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1c(F)cccc1Cl)C1CC1c1ccccc1
InChIInChI=1S/C18H19ClFN/c1-2-21-18(17-15(19)9-6-10-16(17)20)14-11-13(14)12-7-4-3-5-8-12/h3-10,13-14,18,21H,2,11H2,1H3
InChIKeyZYMWBPODDFSXKS-UHFFFAOYSA-N
MW303.81 g/mol
LogP4.93
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine

N-[(2-chloro-6-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine (PubChem CID 105052491) has the molecular formula C18H19ClFN and a molecular weight of 303.81 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
PubChem CID105052491
Molecular FormulaC18H19ClFN
Molecular Weight303.81 g/mol
Exact Mass303.12
IUPAC NameN-[(2-chloro-6-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1c(F)cccc1Cl)C1CC1c1ccccc1
InChIInChI=1S/C18H19ClFN/c1-2-21-18(17-15(19)9-6-10-16(17)20)14-11-13(14)12-7-4-3-5-8-12/h3-10,13-14,18,21H,2,11H2,1H3
InChIKeyZYMWBPODDFSXKS-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-4-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517490
N-[(3-chlorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517342
N-[(2,6-difluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65419554
N-[(2-chlorophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 116517442
N-[(3-fluoro-4-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517837
N-[(4-bromo-3-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 105052687
[(2-chloro-3-fluorophenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105341508
N-ethyl-3,3,3-trifluoro-1-(2-phenylcyclopropyl)propan-1-amine
CID 116517402
N-[(5-chlorofuran-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 106693341
1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine
CID 62066046
N-ethyl-4,4,4-trifluoro-1-(2-phenylcyclopropyl)butan-1-amine
CID 116517759
1-(2-chloro-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine
CID 115863424

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine (CID 105052491) is N-[(2-chloro-6-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine is CCNC(c1c(F)cccc1Cl)C1CC1c1ccccc1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine?
The InChIKey is ZYMWBPODDFSXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN/c1-2-21-18(17-15(19)9-6-10-16(17)20)14-11-13(14)12-7-4-3-5-8-12/h3-10,13-14,18,21H,2,11H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine?
N-[(2-chloro-6-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine has a molecular weight of 303.81 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 105052491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).