N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine

C14H19ClFNO — CID 43772020

IUPACN-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(NC(C)C1CCCO1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H19ClFNO/c1-9(12-6-5-11(16)8-13(12)15)17-10(2)14-4-3-7-18-14/h5-6,8-10,14,17H,3-4,7H2,1-2H3
InChIKeyCRNWTPSOPXYGDL-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.70
Rot. Bonds4

About N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine

N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 43772020) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine
PubChem CID43772020
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(NC(C)C1CCCO1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H19ClFNO/c1-9(12-6-5-11(16)8-13(12)15)17-10(2)14-4-3-7-18-14/h5-6,8-10,14,17H,3-4,7H2,1-2H3
InChIKeyCRNWTPSOPXYGDL-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 43208558
N-(2-chloro-4-fluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide
CID 86789635
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43766668
1-[1-(2-chlorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 46486147
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43779498
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-phenylethanamine
CID 43755948
(2-chloro-5-fluorophenyl)-(oxan-2-yl)methanamine
CID 105397026
2-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-1-ol
CID 43771126
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 63449279
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 65192062
3-chloro-6-fluoro-N-[1-(oxolan-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 17330653
N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]methanesulfonamide
CID 95632056

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine (CID 43772020) is N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine is CC(NC(C)C1CCCO1)c1ccc(F)cc1Cl.
What is the InChIKey of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is CRNWTPSOPXYGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-9(12-6-5-11(16)8-13(12)15)17-10(2)14-4-3-7-18-14/h5-6,8-10,14,17H,3-4,7H2,1-2H3.
What are the key properties of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine?
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 271.76 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 43772020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).