5-[(5-chloro-2-fluorophenyl)methylamino]naphthalen-1-ol

C17H13ClFNO — CID 114841970

IUPAC5-[(5-chloro-2-fluorophenyl)methylamino]naphthalen-1-ol
SMILESOc1cccc2c(NCc3cc(Cl)ccc3F)cccc12
InChIInChI=1S/C17H13ClFNO/c18-12-7-8-15(19)11(9-12)10-20-16-5-1-4-14-13(16)3-2-6-17(14)21/h1-9,20-21H,10H2
InChIKeyBGZGWWCYTFXUCS-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.95
Rot. Bonds3

About 5-[(5-chloro-2-fluorophenyl)methylamino]naphthalen-1-ol

5-[(5-chloro-2-fluorophenyl)methylamino]naphthalen-1-ol (PubChem CID 114841970) has the molecular formula C17H13ClFNO and a molecular weight of 301.75 g/mol. Its IUPAC name is 5-[(5-chloro-2-fluorophenyl)methylamino]naphthalen-1-ol.

Molecular Properties

Compound Name5-[(5-chloro-2-fluorophenyl)methylamino]naphthalen-1-ol
PubChem CID114841970
Molecular FormulaC17H13ClFNO
Molecular Weight301.75 g/mol
Exact Mass301.07
IUPAC Name5-[(5-chloro-2-fluorophenyl)methylamino]naphthalen-1-ol
SMILESOc1cccc2c(NCc3cc(Cl)ccc3F)cccc12
InChIInChI=1S/C17H13ClFNO/c18-12-7-8-15(19)11(9-12)10-20-16-5-1-4-14-13(16)3-2-6-17(14)21/h1-9,20-21H,10H2
InChIKeyBGZGWWCYTFXUCS-UHFFFAOYSA-N
XLogP4.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]acetamide
CID 75431880
2-(5-chloro-2-methylphenyl)-N-(5-hydroxynaphthalen-1-yl)acetamide
CID 158774105
2-[(2-bromo-3-chloroanilino)methyl]-4-chlorophenol
CID 103478322
4-chloro-2-[(2-methylsulfanylanilino)methyl]phenol
CID 43683485
methyl 2-[(5-chloro-2-fluorophenyl)methylamino]benzoate
CID 114841534
2-chloro-6-[(5-chloro-2-fluoroanilino)methyl]phenol
CID 112606398
5-[(3-bromo-4-chlorophenyl)methylamino]naphthalen-1-ol
CID 83232776
2-chloro-6-[(4-chloro-2-fluoroanilino)methyl]phenol
CID 112606494
5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-2-ethoxyaniline
CID 114842110
2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]sulfanylacetamide
CID 115762712
2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841500
4-[(5-chloro-2-fluorophenyl)methylamino]-3-nitrophenol
CID 114842015

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-fluorophenyl)methylamino]naphthalen-1-ol?
The IUPAC name of 5-[(5-chloro-2-fluorophenyl)methylamino]naphthalen-1-ol (CID 114841970) is 5-[(5-chloro-2-fluorophenyl)methylamino]naphthalen-1-ol.
What is the SMILES notation for 5-[(5-chloro-2-fluorophenyl)methylamino]naphthalen-1-ol?
The canonical SMILES for 5-[(5-chloro-2-fluorophenyl)methylamino]naphthalen-1-ol is Oc1cccc2c(NCc3cc(Cl)ccc3F)cccc12.
What is the InChIKey of 5-[(5-chloro-2-fluorophenyl)methylamino]naphthalen-1-ol?
The InChIKey is BGZGWWCYTFXUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO/c18-12-7-8-15(19)11(9-12)10-20-16-5-1-4-14-13(16)3-2-6-17(14)21/h1-9,20-21H,10H2.
What are the key properties of 5-[(5-chloro-2-fluorophenyl)methylamino]naphthalen-1-ol?
5-[(5-chloro-2-fluorophenyl)methylamino]naphthalen-1-ol has a molecular weight of 301.75 g/mol, XLogP of 4.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-fluorophenyl)methylamino]naphthalen-1-ol is sourced from PubChem (CID 114841970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).