2-[(3-chlorophenyl)methoxy]-N-ethyl-2-(3-fluorophenyl)ethanamine

C17H19ClFNO — CID 65124788

IUPAC2-[(3-chlorophenyl)methoxy]-N-ethyl-2-(3-fluorophenyl)ethanamine
SMILESCCNCC(OCc1cccc(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C17H19ClFNO/c1-2-20-11-17(14-6-4-8-16(19)10-14)21-12-13-5-3-7-15(18)9-13/h3-10,17,20H,2,11-12H2,1H3
InChIKeyQRWZCMTXFSHNEG-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.35
Rot. Bonds7

About 2-[(3-chlorophenyl)methoxy]-N-ethyl-2-(3-fluorophenyl)ethanamine

2-[(3-chlorophenyl)methoxy]-N-ethyl-2-(3-fluorophenyl)ethanamine (PubChem CID 65124788) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methoxy]-N-ethyl-2-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methoxy]-N-ethyl-2-(3-fluorophenyl)ethanamine
PubChem CID65124788
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name2-[(3-chlorophenyl)methoxy]-N-ethyl-2-(3-fluorophenyl)ethanamine
SMILESCCNCC(OCc1cccc(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C17H19ClFNO/c1-2-20-11-17(14-6-4-8-16(19)10-14)21-12-13-5-3-7-15(18)9-13/h3-10,17,20H,2,11-12H2,1H3
InChIKeyQRWZCMTXFSHNEG-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromophenyl)methoxy]-2-(3-chlorophenyl)-N-ethylethanamine
CID 82806133
2-(2-cyclopropylethoxy)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 106204917
2-(3-chlorophenyl)-N-ethyl-2-octoxyethanamine
CID 63474835
3-(3-chlorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 79441774
2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]-N-ethylethanamine
CID 82805323
2-cyclobutyloxy-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 62383124
2-[(3-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 63523316
N-[(3-chlorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871542
2-[(3-chlorophenyl)methoxy]-2-(2-fluorophenyl)-N-methylethanamine
CID 65124389
3-(4-chloro-2-fluorophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine
CID 114858835
1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 60819525
2-[(4-bromophenyl)methoxy]-2-(4-chlorophenyl)-N-ethylethanamine
CID 82806329

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methoxy]-N-ethyl-2-(3-fluorophenyl)ethanamine?
The IUPAC name of 2-[(3-chlorophenyl)methoxy]-N-ethyl-2-(3-fluorophenyl)ethanamine (CID 65124788) is 2-[(3-chlorophenyl)methoxy]-N-ethyl-2-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-[(3-chlorophenyl)methoxy]-N-ethyl-2-(3-fluorophenyl)ethanamine?
The canonical SMILES for 2-[(3-chlorophenyl)methoxy]-N-ethyl-2-(3-fluorophenyl)ethanamine is CCNCC(OCc1cccc(Cl)c1)c1cccc(F)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methoxy]-N-ethyl-2-(3-fluorophenyl)ethanamine?
The InChIKey is QRWZCMTXFSHNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-2-20-11-17(14-6-4-8-16(19)10-14)21-12-13-5-3-7-15(18)9-13/h3-10,17,20H,2,11-12H2,1H3.
What are the key properties of 2-[(3-chlorophenyl)methoxy]-N-ethyl-2-(3-fluorophenyl)ethanamine?
2-[(3-chlorophenyl)methoxy]-N-ethyl-2-(3-fluorophenyl)ethanamine has a molecular weight of 307.80 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methoxy]-N-ethyl-2-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 65124788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).