N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-methylpentan-2-amine

C14H21ClFN — CID 83069690

IUPACN-[1-(4-chloro-3-fluorophenyl)ethyl]-4-methylpentan-2-amine
SMILESCC(C)CC(C)NC(C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H21ClFN/c1-9(2)7-10(3)17-11(4)12-5-6-13(15)14(16)8-12/h5-6,8-11,17H,7H2,1-4H3
InChIKeyQVHFVHKXKPCZFA-UHFFFAOYSA-N
MW257.78 g/mol
LogP4.56
Rot. Bonds5

About N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-methylpentan-2-amine

N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-methylpentan-2-amine (PubChem CID 83069690) has the molecular formula C14H21ClFN and a molecular weight of 257.78 g/mol. Its IUPAC name is N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[1-(4-chloro-3-fluorophenyl)ethyl]-4-methylpentan-2-amine
PubChem CID83069690
Molecular FormulaC14H21ClFN
Molecular Weight257.78 g/mol
Exact Mass257.13
IUPAC NameN-[1-(4-chloro-3-fluorophenyl)ethyl]-4-methylpentan-2-amine
SMILESCC(C)CC(C)NC(C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H21ClFN/c1-9(2)7-10(3)17-11(4)12-5-6-13(15)14(16)8-12/h5-6,8-11,17H,7H2,1-4H3
InChIKeyQVHFVHKXKPCZFA-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.78
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-[1-(4-chloro-3-fluorophenyl)ethylamino]propan-1-ol
CID 114987165
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4,4,4-trifluorobutan-2-amine
CID 103906173
N-[1-(4-chloro-3-fluorophenyl)ethyl]propan-2-amine
CID 59146352
N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 83057829
3-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-methylbutan-1-ol
CID 115879364
3-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol
CID 115879368
(1R)-N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 83069629
N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine
CID 130054500
N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentan-2-amine
CID 81364871
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,4,6-trifluoroaniline
CID 83069311
1-(4-chloro-3-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 82888806
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 83059762

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-methylpentan-2-amine?
The IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-methylpentan-2-amine (CID 83069690) is N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-methylpentan-2-amine.
What is the SMILES notation for N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-methylpentan-2-amine?
The canonical SMILES for N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-methylpentan-2-amine is CC(C)CC(C)NC(C)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-methylpentan-2-amine?
The InChIKey is QVHFVHKXKPCZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFN/c1-9(2)7-10(3)17-11(4)12-5-6-13(15)14(16)8-12/h5-6,8-11,17H,7H2,1-4H3.
What are the key properties of N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-methylpentan-2-amine?
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-methylpentan-2-amine has a molecular weight of 257.78 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-methylpentan-2-amine is sourced from PubChem (CID 83069690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).