N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline

C18H20FN3 — CID 3899831

IUPACN-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
SMILESCc1cc(N2CCCC2)c(F)cc1C=NNc1ccccc1
InChIInChI=1S/C18H20FN3/c1-14-11-18(22-9-5-6-10-22)17(19)12-15(14)13-20-21-16-7-3-2-4-8-16/h2-4,7-8,11-13,21H,5-6,9-10H2,1H3
InChIKeyKSWSSXQEWQUJQT-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.18
Rot. Bonds4

About N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline

N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline (PubChem CID 3899831) has the molecular formula C18H20FN3 and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
PubChem CID3899831
Molecular FormulaC18H20FN3
Molecular Weight297.38 g/mol
Exact Mass297.16
IUPAC NameN-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
SMILESCc1cc(N2CCCC2)c(F)cc1C=NNc1ccccc1
InChIInChI=1S/C18H20FN3/c1-14-11-18(22-9-5-6-10-22)17(19)12-15(14)13-20-21-16-7-3-2-4-8-16/h2-4,7-8,11-13,21H,5-6,9-10H2,1H3
InChIKeyKSWSSXQEWQUJQT-UHFFFAOYSA-N
XLogP4.18
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.18
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

N-[(Z)-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 6154296
N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]hydroxylamine
CID 5031665
N-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
CID 169382349
N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
CID 3313701
N-(4-chlorophenyl)-1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methanimine
CID 4589321
4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]phenol
CID 4654883
5-fluoro-2-methyl-4-pyrrolidin-1-ylbenzaldehyde
CID 974356
4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzoic acid
CID 4202846
N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 4620646
2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]guanidine
CID 168591057
N-[(2-fluoro-5-methylphenyl)methylideneamino]aniline
CID 169381612
N-[(3-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
CID 169382646

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline?
The IUPAC name of N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline (CID 3899831) is N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline is Cc1cc(N2CCCC2)c(F)cc1C=NNc1ccccc1.
What is the InChIKey of N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline?
The InChIKey is KSWSSXQEWQUJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3/c1-14-11-18(22-9-5-6-10-22)17(19)12-15(14)13-20-21-16-7-3-2-4-8-16/h2-4,7-8,11-13,21H,5-6,9-10H2,1H3.
What are the key properties of N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline?
N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline has a molecular weight of 297.38 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline is sourced from PubChem (CID 3899831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).