1-(5-chloro-2-fluorophenyl)-N-ethylpropan-1-amine

C11H15ClFN — CID 114886330

IUPAC1-(5-chloro-2-fluorophenyl)-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cc(Cl)ccc1F
InChIInChI=1S/C11H15ClFN/c1-3-11(14-4-2)9-7-8(12)5-6-10(9)13/h5-7,11,14H,3-4H2,1-2H3
InChIKeyXDYZGONGCYZFBL-UHFFFAOYSA-N
MW215.70 g/mol
LogP3.54
Rot. Bonds4

About 1-(5-chloro-2-fluorophenyl)-N-ethylpropan-1-amine

1-(5-chloro-2-fluorophenyl)-N-ethylpropan-1-amine (PubChem CID 114886330) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-N-ethylpropan-1-amine
PubChem CID114886330
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name1-(5-chloro-2-fluorophenyl)-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cc(Cl)ccc1F
InChIInChI=1S/C11H15ClFN/c1-3-11(14-4-2)9-7-8(12)5-6-10(9)13/h5-7,11,14H,3-4H2,1-2H3
InChIKeyXDYZGONGCYZFBL-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-fluorophenyl)-N-ethylpentan-1-amine
CID 114886331
1-(5-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 114886290
1-(2-bromo-4-chlorophenyl)-N-ethylpropan-1-amine
CID 107991741
1-(5-chloro-2-fluorophenyl)-N-ethyl-4-methoxybutan-1-amine
CID 114886474
1-(5-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 63527546
1-(5-chloro-2-fluorophenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 61078384
N-[(5-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490182
1-(5-chloro-2-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 114886305
1-(5-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103049207
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 65321484
2-(2,4-dichlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 63412980
N-[(5-chloro-2-fluorophenyl)-phenylmethyl]ethanamine
CID 43489085

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-ethylpropan-1-amine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-ethylpropan-1-amine (CID 114886330) is 1-(5-chloro-2-fluorophenyl)-N-ethylpropan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-N-ethylpropan-1-amine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-N-ethylpropan-1-amine is CCNC(CC)c1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-N-ethylpropan-1-amine?
The InChIKey is XDYZGONGCYZFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-3-11(14-4-2)9-7-8(12)5-6-10(9)13/h5-7,11,14H,3-4H2,1-2H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-N-ethylpropan-1-amine?
1-(5-chloro-2-fluorophenyl)-N-ethylpropan-1-amine has a molecular weight of 215.70 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-N-ethylpropan-1-amine is sourced from PubChem (CID 114886330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).