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

C18H15ClFN — CID 43780295

IUPACN-[1-(2-chloro-4-fluorophenyl)ethyl]naphthalen-2-amine
SMILESCC(Nc1ccc2ccccc2c1)c1ccc(F)cc1Cl
InChIInChI=1S/C18H15ClFN/c1-12(17-9-7-15(20)11-18(17)19)21-16-8-6-13-4-2-3-5-14(13)10-16/h2-12,21H,1H3
InChIKeyCDVPSWHCHCSVSR-UHFFFAOYSA-N
MW299.78 g/mol
LogP5.81
Rot. Bonds3

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

N-[1-(2-chloro-4-fluorophenyl)ethyl]naphthalen-2-amine (PubChem CID 43780295) has the molecular formula C18H15ClFN and a molecular weight of 299.78 g/mol. Its IUPAC name is N-[1-(2-chloro-4-fluorophenyl)ethyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[1-(2-chloro-4-fluorophenyl)ethyl]naphthalen-2-amine
PubChem CID43780295
Molecular FormulaC18H15ClFN
Molecular Weight299.78 g/mol
Exact Mass299.09
IUPAC NameN-[1-(2-chloro-4-fluorophenyl)ethyl]naphthalen-2-amine
SMILESCC(Nc1ccc2ccccc2c1)c1ccc(F)cc1Cl
InChIInChI=1S/C18H15ClFN/c1-12(17-9-7-15(20)11-18(17)19)21-16-8-6-13-4-2-3-5-14(13)10-16/h2-12,21H,1H3
InChIKeyCDVPSWHCHCSVSR-UHFFFAOYSA-N
XLogP5.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.78
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methoxyaniline
CID 43766019
N-[1-(2,5-dichlorophenyl)ethyl]naphthalen-2-amine
CID 43680270
4-[1-(2-chloro-4-fluorophenyl)ethylamino]phenol
CID 43790400
5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-methylphenol
CID 107701003
N-[1-(4-bromo-2-fluorophenyl)ethyl]naphthalen-2-amine
CID 82964453
5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-fluorobenzonitrile
CID 62318208
N-[1-(2-chloro-4-fluorophenyl)ethyl]-3-ethynylaniline
CID 43755518
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methylaniline
CID 43766127
4-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-3-nitroaniline
CID 43785747
5-[1-(2-chloro-4-fluorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one
CID 43766489
2-chloro-4-fluoro-N-(1-naphthalen-2-ylethyl)aniline
CID 43150506
4-[1-(2-chloro-4-fluorophenyl)ethylamino]-N-methylbenzamide
CID 43781065

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]naphthalen-2-amine?
The IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]naphthalen-2-amine (CID 43780295) is N-[1-(2-chloro-4-fluorophenyl)ethyl]naphthalen-2-amine.
What is the SMILES notation for N-[1-(2-chloro-4-fluorophenyl)ethyl]naphthalen-2-amine?
The canonical SMILES for N-[1-(2-chloro-4-fluorophenyl)ethyl]naphthalen-2-amine is CC(Nc1ccc2ccccc2c1)c1ccc(F)cc1Cl.
What is the InChIKey of N-[1-(2-chloro-4-fluorophenyl)ethyl]naphthalen-2-amine?
The InChIKey is CDVPSWHCHCSVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN/c1-12(17-9-7-15(20)11-18(17)19)21-16-8-6-13-4-2-3-5-14(13)10-16/h2-12,21H,1H3.
What are the key properties of N-[1-(2-chloro-4-fluorophenyl)ethyl]naphthalen-2-amine?
N-[1-(2-chloro-4-fluorophenyl)ethyl]naphthalen-2-amine has a molecular weight of 299.78 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-4-fluorophenyl)ethyl]naphthalen-2-amine is sourced from PubChem (CID 43780295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).