2-(2-chloro-4-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine

C17H17ClFN — CID 63079499

IUPAC2-(2-chloro-4-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine
SMILESNC(Cc1ccc(F)cc1Cl)C1(c2ccccc2)CC1
InChIInChI=1S/C17H17ClFN/c18-15-11-14(19)7-6-12(15)10-16(20)17(8-9-17)13-4-2-1-3-5-13/h1-7,11,16H,8-10,20H2
InChIKeyKYNAUBYWXDCLSO-UHFFFAOYSA-N
MW289.78 g/mol
LogP4.08
Rot. Bonds4

About 2-(2-chloro-4-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine

2-(2-chloro-4-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine (PubChem CID 63079499) has the molecular formula C17H17ClFN and a molecular weight of 289.78 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine
PubChem CID63079499
Molecular FormulaC17H17ClFN
Molecular Weight289.78 g/mol
Exact Mass289.10
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine
SMILESNC(Cc1ccc(F)cc1Cl)C1(c2ccccc2)CC1
InChIInChI=1S/C17H17ClFN/c18-15-11-14(19)7-6-12(15)10-16(20)17(8-9-17)13-4-2-1-3-5-13/h1-7,11,16H,8-10,20H2
InChIKeyKYNAUBYWXDCLSO-UHFFFAOYSA-N
XLogP4.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-5-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine
CID 102618859
2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclobutyl)ethanamine
CID 114347866
2-(2-chloro-6-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine
CID 62880715
2-(2-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
CID 116714000
2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclobutyl)ethanamine
CID 115983760
1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100
1-(2-bromophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 55118420
2-(4-chloro-2-fluorophenyl)-1-(1-phenylcyclopropyl)ethanol
CID 114854613
2-(2-chloro-4-fluorophenyl)-1-(2-methylphenyl)ethanamine
CID 55095442
(4-fluoro-2-methylphenyl)-(1-phenylcyclopropyl)methanamine
CID 63078447
1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 63419768
2-(4-fluoro-2-methylphenyl)-1-(1-methylcyclopropyl)ethanamine
CID 114348186

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine (CID 63079499) is 2-(2-chloro-4-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine is NC(Cc1ccc(F)cc1Cl)C1(c2ccccc2)CC1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine?
The InChIKey is KYNAUBYWXDCLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN/c18-15-11-14(19)7-6-12(15)10-16(20)17(8-9-17)13-4-2-1-3-5-13/h1-7,11,16H,8-10,20H2.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine?
2-(2-chloro-4-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine has a molecular weight of 289.78 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine is sourced from PubChem (CID 63079499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).