N-[(2-chloro-6-fluorophenyl)methyl]naphthalen-2-amine

C17H13ClFN — CID 43229432

IUPACN-[(2-chloro-6-fluorophenyl)methyl]naphthalen-2-amine
SMILESFc1cccc(Cl)c1CNc1ccc2ccccc2c1
InChIInChI=1S/C17H13ClFN/c18-16-6-3-7-17(19)15(16)11-20-14-9-8-12-4-1-2-5-13(12)10-14/h1-10,20H,11H2
InChIKeyRSRLTFHKIJKSKS-UHFFFAOYSA-N
MW285.75 g/mol
LogP5.24
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]naphthalen-2-amine

N-[(2-chloro-6-fluorophenyl)methyl]naphthalen-2-amine (PubChem CID 43229432) has the molecular formula C17H13ClFN and a molecular weight of 285.75 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]naphthalen-2-amine
PubChem CID43229432
Molecular FormulaC17H13ClFN
Molecular Weight285.75 g/mol
Exact Mass285.07
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]naphthalen-2-amine
SMILESFc1cccc(Cl)c1CNc1ccc2ccccc2c1
InChIInChI=1S/C17H13ClFN/c18-16-6-3-7-17(19)15(16)11-20-14-9-8-12-4-1-2-5-13(12)10-14/h1-10,20H,11H2
InChIKeyRSRLTFHKIJKSKS-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.75
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]quinolin-6-amine
CID 62636135
3-[(2-chloro-6-fluorophenyl)methylamino]phenol
CID 28722844
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CID 43230331
N-[(2-chloro-6-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 79054634
1-chloro-3-fluoro-2-[[3-(sulfamoylamino)anilino]methyl]benzene
CID 43742045
N-[(4-chlorophenyl)methyl]naphthalen-2-amine
CID 13418586
N-[2-chloro-4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]acetamide
CID 43690236
2-chloro-5-[(2-chloro-6-fluorophenyl)methylamino]-N-methylbenzamide
CID 60934687
N-[(2-chloro-6-fluorophenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60944121
N-[(2-chloro-6-fluorophenyl)methyl]thiophen-3-amine
CID 66351470
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-4,6-difluoroaniline
CID 83082114
N-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-4-amine
CID 43539940

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]naphthalen-2-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]naphthalen-2-amine (CID 43229432) is N-[(2-chloro-6-fluorophenyl)methyl]naphthalen-2-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]naphthalen-2-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]naphthalen-2-amine is Fc1cccc(Cl)c1CNc1ccc2ccccc2c1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]naphthalen-2-amine?
The InChIKey is RSRLTFHKIJKSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN/c18-16-6-3-7-17(19)15(16)11-20-14-9-8-12-4-1-2-5-13(12)10-14/h1-10,20H,11H2.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]naphthalen-2-amine?
N-[(2-chloro-6-fluorophenyl)methyl]naphthalen-2-amine has a molecular weight of 285.75 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]naphthalen-2-amine is sourced from PubChem (CID 43229432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).