4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline

C14H13ClFN — CID 29291765

IUPAC4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline
SMILESC[C@@H](Nc1ccc(Cl)cc1)c1ccccc1F
InChIInChI=1S/C14H13ClFN/c1-10(13-4-2-3-5-14(13)16)17-12-8-6-11(15)7-9-12/h2-10,17H,1H3/t10-/m1/s1
InChIKeyACKNSYTUXPGTCM-SNVBAGLBSA-N
MW249.72 g/mol
LogP4.65
Rot. Bonds3

About 4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline

4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline (PubChem CID 29291765) has the molecular formula C14H13ClFN and a molecular weight of 249.72 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline
PubChem CID29291765
Molecular FormulaC14H13ClFN
Molecular Weight249.72 g/mol
Exact Mass249.07
IUPAC Name4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline
SMILESC[C@@H](Nc1ccc(Cl)cc1)c1ccccc1F
InChIInChI=1S/C14H13ClFN/c1-10(13-4-2-3-5-14(13)16)17-12-8-6-11(15)7-9-12/h2-10,17H,1H3/t10-/m1/s1
InChIKeyACKNSYTUXPGTCM-SNVBAGLBSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(2-fluorophenyl)ethyl]pyridin-4-amine
CID 94222755
3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline
CID 43195584
N-[1-(2-fluorophenyl)ethyl]-3,4-dimethylaniline
CID 43194139
N-[1-(2-fluorophenyl)ethyl]-4-(trifluoromethylsulfanyl)aniline
CID 43720526
N-[1-(2-fluorophenyl)ethyl]-4-pyrrolidin-1-ylaniline
CID 43732210
3-chloro-N-[1-(2-fluorophenyl)ethyl]-4-propan-2-yloxyaniline
CID 43727176
6-bromo-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine
CID 114051650
2-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43194893
2,4,5-trichloro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43108233
2-[4-[1-(2-fluorophenyl)ethylamino]phenyl]-N-methylacetamide
CID 43714074
2,3,4-trifluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43192515
5-bromo-6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine
CID 114050357

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline?
The IUPAC name of 4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline (CID 29291765) is 4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline.
What is the SMILES notation for 4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline?
The canonical SMILES for 4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline is C[C@@H](Nc1ccc(Cl)cc1)c1ccccc1F.
What is the InChIKey of 4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline?
The InChIKey is ACKNSYTUXPGTCM-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H13ClFN/c1-10(13-4-2-3-5-14(13)16)17-12-8-6-11(15)7-9-12/h2-10,17H,1H3/t10-/m1/s1.
What are the key properties of 4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline?
4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline has a molecular weight of 249.72 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline is sourced from PubChem (CID 29291765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).