N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline

C14H13ClFN — CID 43104012

IUPACN-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline
SMILESCC(Nc1cccc(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H13ClFN/c1-10(11-4-2-5-12(15)8-11)17-14-7-3-6-13(16)9-14/h2-10,17H,1H3
InChIKeyMNUUJXCXWBXGHS-UHFFFAOYSA-N
MW249.72 g/mol
LogP4.65
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline

N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline (PubChem CID 43104012) has the molecular formula C14H13ClFN and a molecular weight of 249.72 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline
PubChem CID43104012
Molecular FormulaC14H13ClFN
Molecular Weight249.72 g/mol
Exact Mass249.07
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline
SMILESCC(Nc1cccc(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H13ClFN/c1-10(11-4-2-5-12(15)8-11)17-14-7-3-6-13(16)9-14/h2-10,17H,1H3
InChIKeyMNUUJXCXWBXGHS-UHFFFAOYSA-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-[1-(3-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43094786
N-[1-(4-chlorophenyl)ethyl]-3-fluoroaniline
CID 43093632
3-bromo-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43100997
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359
3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43106074
3-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43178604
[3-[1-(3-chlorophenyl)ethylamino]phenyl]methanol
CID 43715072
N-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43101592
N-[1-(3-chlorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114838027
N-[1-(3-chlorophenyl)ethyl]-6-fluoropyridin-3-amine
CID 114052686
3-[(1R)-1-(3-fluoroanilino)ethyl]-N-methylbenzenesulfonamide
CID 97337885
1-N-[1-(3-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376525

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline (CID 43104012) is N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline is CC(Nc1cccc(F)c1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline?
The InChIKey is MNUUJXCXWBXGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN/c1-10(11-4-2-5-12(15)8-11)17-14-7-3-6-13(16)9-14/h2-10,17H,1H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline?
N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline 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 N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline is sourced from PubChem (CID 43104012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).