N-[(3-chloro-4-fluorophenyl)methyl]naphthalen-1-amine

C17H13ClFN — CID 81144303

IUPACN-[(3-chloro-4-fluorophenyl)methyl]naphthalen-1-amine
SMILESFc1ccc(CNc2cccc3ccccc23)cc1Cl
InChIInChI=1S/C17H13ClFN/c18-15-10-12(8-9-16(15)19)11-20-17-7-3-5-13-4-1-2-6-14(13)17/h1-10,20H,11H2
InChIKeyLFSICQFYAJLYBS-UHFFFAOYSA-N
MW285.75 g/mol
LogP5.24
Rot. Bonds3

About N-[(3-chloro-4-fluorophenyl)methyl]naphthalen-1-amine

N-[(3-chloro-4-fluorophenyl)methyl]naphthalen-1-amine (PubChem CID 81144303) has the molecular formula C17H13ClFN and a molecular weight of 285.75 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]naphthalen-1-amine
PubChem CID81144303
Molecular FormulaC17H13ClFN
Molecular Weight285.75 g/mol
Exact Mass285.07
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]naphthalen-1-amine
SMILESFc1ccc(CNc2cccc3ccccc23)cc1Cl
InChIInChI=1S/C17H13ClFN/c18-15-10-12(8-9-16(15)19)11-20-17-7-3-5-13-4-1-2-6-14(13)17/h1-10,20H,11H2
InChIKeyLFSICQFYAJLYBS-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-[(3-chloro-4-methylphenyl)methyl]naphthalen-1-amine
CID 106816010
N-[(3-chloro-4-fluorophenyl)methyl]-1H-indazol-7-amine
CID 81145361
2,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]aniline
CID 81145127
2-(1-chloroethyl)-N-[(3-chloro-4-fluorophenyl)methyl]aniline
CID 103041354
2-chloro-6-[(3-chloro-4-fluorophenyl)methylamino]benzonitrile
CID 62539428
N-[(3-chloro-4-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 81143549
N-[(3-chloro-4-fluorophenyl)methyl]-2-(difluoromethylsulfonyl)aniline
CID 133282760
N-[(3-methylphenyl)methyl]naphthalen-1-amine
CID 23820233
N-[2-(4-chlorophenyl)ethyl]naphthalen-1-amine
CID 54795955
1-[(3-chloro-4-fluorophenyl)methyl]-3-isoquinolin-5-ylurea
CID 11255965
6-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,6-diamine
CID 80647965
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-2-(methoxymethyl)aniline
CID 81145860

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]naphthalen-1-amine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]naphthalen-1-amine (CID 81144303) is N-[(3-chloro-4-fluorophenyl)methyl]naphthalen-1-amine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]naphthalen-1-amine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]naphthalen-1-amine is Fc1ccc(CNc2cccc3ccccc23)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]naphthalen-1-amine?
The InChIKey is LFSICQFYAJLYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN/c18-15-10-12(8-9-16(15)19)11-20-17-7-3-5-13-4-1-2-6-14(13)17/h1-10,20H,11H2.
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]naphthalen-1-amine?
N-[(3-chloro-4-fluorophenyl)methyl]naphthalen-1-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-[(3-chloro-4-fluorophenyl)methyl]naphthalen-1-amine is sourced from PubChem (CID 81144303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).