N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine

C16H17ClFN — CID 43100538

IUPACN-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
SMILESCC(NCCc1ccc(Cl)cc1)c1ccccc1F
InChIInChI=1S/C16H17ClFN/c1-12(15-4-2-3-5-16(15)18)19-11-10-13-6-8-14(17)9-7-13/h2-9,12,19H,10-11H2,1H3
InChIKeyKRVVFCXNYUXRQS-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.37
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine

N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine (PubChem CID 43100538) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
PubChem CID43100538
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
SMILESCC(NCCc1ccc(Cl)cc1)c1ccccc1F
InChIInChI=1S/C16H17ClFN/c1-12(15-4-2-3-5-16(15)18)19-11-10-13-6-8-14(17)9-7-13/h2-9,12,19H,10-11H2,1H3
InChIKeyKRVVFCXNYUXRQS-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60895907
N-[2-(4-chlorophenyl)ethyl]-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43767010
1-(4-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]propan-2-amine
CID 43677712
1-(2-fluorophenyl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43515502
N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 63646240
1-(5-bromo-2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
CID 82961644
N-[(3-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 114452647
(1R)-N-[(3-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 104928542
4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline
CID 29291765
N-[(1R)-1-(2-fluorophenyl)ethyl]heptan-1-amine
CID 81380794
3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanenitrile
CID 28728329
N-[2-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 43103247

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine (CID 43100538) is N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine is CC(NCCc1ccc(Cl)cc1)c1ccccc1F.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine?
The InChIKey is KRVVFCXNYUXRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-12(15-4-2-3-5-16(15)18)19-11-10-13-6-8-14(17)9-7-13/h2-9,12,19H,10-11H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine?
N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine has a molecular weight of 277.77 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 43100538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).