N-[[3-(difluoromethoxy)phenyl]methylideneamino]naphthalen-2-amine

C18H14F2N2O — CID 4152799

IUPACN-[[3-(difluoromethoxy)phenyl]methylideneamino]naphthalen-2-amine
SMILESFC(F)Oc1cccc(C=NNc2ccc3ccccc3c2)c1
InChIInChI=1S/C18H14F2N2O/c19-18(20)23-17-7-3-4-13(10-17)12-21-22-16-9-8-14-5-1-2-6-15(14)11-16/h1-12,18,22H
InChIKeyLERWAPFOHMIQOJ-UHFFFAOYSA-N
MW312.32 g/mol
LogP4.89
Rot. Bonds5

About N-[[3-(difluoromethoxy)phenyl]methylideneamino]naphthalen-2-amine

N-[[3-(difluoromethoxy)phenyl]methylideneamino]naphthalen-2-amine (PubChem CID 4152799) has the molecular formula C18H14F2N2O and a molecular weight of 312.32 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)phenyl]methylideneamino]naphthalen-2-amine.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)phenyl]methylideneamino]naphthalen-2-amine
PubChem CID4152799
Molecular FormulaC18H14F2N2O
Molecular Weight312.32 g/mol
Exact Mass312.11
IUPAC NameN-[[3-(difluoromethoxy)phenyl]methylideneamino]naphthalen-2-amine
SMILESFC(F)Oc1cccc(C=NNc2ccc3ccccc3c2)c1
InChIInChI=1S/C18H14F2N2O/c19-18(20)23-17-7-3-4-13(10-17)12-21-22-16-9-8-14-5-1-2-6-15(14)11-16/h1-12,18,22H
InChIKeyLERWAPFOHMIQOJ-UHFFFAOYSA-N
XLogP4.89
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[3-(difluoromethoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 4692966
3,4-dimethyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110504997
4-methyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110505475
5-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]pyrimidin-2-amine
CID 17019849
4-fluoro-N-[(3-methoxyphenyl)methylideneamino]aniline
CID 3406513
N-[[4-(dimethylamino)phenyl]methylideneamino]naphthalen-2-amine
CID 70584569
3-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 4675648
N-(1,3-benzodioxol-5-ylmethylideneamino)naphthalen-2-amine
CID 70582954
3-chloro-N-[(3-phenoxyphenyl)methylideneamino]aniline
CID 78597614
N-[(3-ethoxyphenyl)methylideneamino]aniline
CID 169381619
N-[[3-(2-methoxyethoxy)phenyl]methylideneamino]aniline
CID 169382542
4-(difluoromethoxy)-N-naphthalen-2-ylbenzamide
CID 2666065

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)phenyl]methylideneamino]naphthalen-2-amine?
The IUPAC name of N-[[3-(difluoromethoxy)phenyl]methylideneamino]naphthalen-2-amine (CID 4152799) is N-[[3-(difluoromethoxy)phenyl]methylideneamino]naphthalen-2-amine.
What is the SMILES notation for N-[[3-(difluoromethoxy)phenyl]methylideneamino]naphthalen-2-amine?
The canonical SMILES for N-[[3-(difluoromethoxy)phenyl]methylideneamino]naphthalen-2-amine is FC(F)Oc1cccc(C=NNc2ccc3ccccc3c2)c1.
What is the InChIKey of N-[[3-(difluoromethoxy)phenyl]methylideneamino]naphthalen-2-amine?
The InChIKey is LERWAPFOHMIQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O/c19-18(20)23-17-7-3-4-13(10-17)12-21-22-16-9-8-14-5-1-2-6-15(14)11-16/h1-12,18,22H.
What are the key properties of N-[[3-(difluoromethoxy)phenyl]methylideneamino]naphthalen-2-amine?
N-[[3-(difluoromethoxy)phenyl]methylideneamino]naphthalen-2-amine has a molecular weight of 312.32 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)phenyl]methylideneamino]naphthalen-2-amine is sourced from PubChem (CID 4152799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).