N-[2-(5-chloro-2-fluorophenyl)ethyl]propan-2-amine

C11H15ClFN — CID 82471422

IUPACN-[2-(5-chloro-2-fluorophenyl)ethyl]propan-2-amine
SMILESCC(C)NCCc1cc(Cl)ccc1F
InChIInChI=1S/C11H15ClFN/c1-8(2)14-6-5-9-7-10(12)3-4-11(9)13/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyVCWRUSLXNPEVRG-UHFFFAOYSA-N
MW215.70 g/mol
LogP3.02
Rot. Bonds4

About N-[2-(5-chloro-2-fluorophenyl)ethyl]propan-2-amine

N-[2-(5-chloro-2-fluorophenyl)ethyl]propan-2-amine (PubChem CID 82471422) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is N-[2-(5-chloro-2-fluorophenyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-2-fluorophenyl)ethyl]propan-2-amine
PubChem CID82471422
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC NameN-[2-(5-chloro-2-fluorophenyl)ethyl]propan-2-amine
SMILESCC(C)NCCc1cc(Cl)ccc1F
InChIInChI=1S/C11H15ClFN/c1-8(2)14-6-5-9-7-10(12)3-4-11(9)13/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyVCWRUSLXNPEVRG-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(5-bromo-2-fluorophenyl)ethyl]propan-2-amine
CID 62548311
4-(5-chloro-2-fluorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 103051801
N-[2-(2,5-dichlorophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 113405304
2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 82491545
N-[2-(2,5-difluorophenyl)ethyl]-3-methylbutan-2-amine
CID 115726285
4-(5-chloro-2-fluorophenyl)-N-(2-methylpropyl)butan-1-amine
CID 114866777
1-(4-chloro-2-fluorophenyl)-5-(propan-2-ylamino)pentan-2-one
CID 114863253
N-[[1-[(5-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 103049761
4-(5-chloro-2-fluorophenyl)-N,2-dimethylbutan-1-amine
CID 103050463
N-(3-chloro-4-fluorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 54809625
1-[2-(5-chloro-2-fluorophenyl)ethylamino]-2-methylpropan-2-ol
CID 96662686
2-(5-chloro-2-fluorophenyl)ethanamine
CID 53403693

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-fluorophenyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(5-chloro-2-fluorophenyl)ethyl]propan-2-amine (CID 82471422) is N-[2-(5-chloro-2-fluorophenyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(5-chloro-2-fluorophenyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(5-chloro-2-fluorophenyl)ethyl]propan-2-amine is CC(C)NCCc1cc(Cl)ccc1F.
What is the InChIKey of N-[2-(5-chloro-2-fluorophenyl)ethyl]propan-2-amine?
The InChIKey is VCWRUSLXNPEVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-8(2)14-6-5-9-7-10(12)3-4-11(9)13/h3-4,7-8,14H,5-6H2,1-2H3.
What are the key properties of N-[2-(5-chloro-2-fluorophenyl)ethyl]propan-2-amine?
N-[2-(5-chloro-2-fluorophenyl)ethyl]propan-2-amine has a molecular weight of 215.70 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-fluorophenyl)ethyl]propan-2-amine is sourced from PubChem (CID 82471422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).