N,N-dimethylmethanamine;2-fluoro-4-phenylaniline

C15H19FN2 — CID 22288747

IUPACN,N-dimethylmethanamine;2-fluoro-4-phenylaniline
SMILESCN(C)C.Nc1ccc(-c2ccccc2)cc1F
InChIInChI=1S/C12H10FN.C3H9N/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9;1-4(2)3/h1-8H,14H2;1-3H3
InChIKeyOZYFUOZPFSYCRV-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.25
Rot. Bonds1

About N,N-dimethylmethanamine;2-fluoro-4-phenylaniline

N,N-dimethylmethanamine;2-fluoro-4-phenylaniline (PubChem CID 22288747) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is N,N-dimethylmethanamine;2-fluoro-4-phenylaniline.

Molecular Properties

Compound NameN,N-dimethylmethanamine;2-fluoro-4-phenylaniline
PubChem CID22288747
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC NameN,N-dimethylmethanamine;2-fluoro-4-phenylaniline
SMILESCN(C)C.Nc1ccc(-c2ccccc2)cc1F
InChIInChI=1S/C12H10FN.C3H9N/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9;1-4(2)3/h1-8H,14H2;1-3H3
InChIKeyOZYFUOZPFSYCRV-UHFFFAOYSA-N
XLogP3.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-[2-(2-fluoro-4-phenylphenyl)ethynyl]aniline
CID 166996424
4-phenyl-2-(4-phenylphenyl)aniline
CID 153492708
2-[4-amino-3-[4-amino-3-[4-amino-3-[4-amino-3-(4-amino-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylaniline
CID 100933717
2,5-difluoro-4-(4-phenylphenyl)aniline
CID 107615842
2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenylaniline
CID 90266704
4-phenylbenzene-1,2-diamine;dihydrochloride
CID 53439687
4-[5-(4-amino-3-fluorophenyl)naphthalen-1-yl]-2-fluoroaniline
CID 146374126
1,1'-biphenyl;N,N-dimethylmethanamine;oxophosphane
CID 174729420
2-N,2-N-diethyl-4-phenylbenzene-1,2-diamine
CID 169488588
2-fluoro-4-naphthalen-1-ylaniline
CID 54912687
2-fluoro-N-(2-fluorophenyl)-N-methyl-5-phenylaniline
CID 90266693
2-butyl-4-phenylaniline
CID 24835781

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;2-fluoro-4-phenylaniline?
The IUPAC name of N,N-dimethylmethanamine;2-fluoro-4-phenylaniline (CID 22288747) is N,N-dimethylmethanamine;2-fluoro-4-phenylaniline.
What is the SMILES notation for N,N-dimethylmethanamine;2-fluoro-4-phenylaniline?
The canonical SMILES for N,N-dimethylmethanamine;2-fluoro-4-phenylaniline is CN(C)C.Nc1ccc(-c2ccccc2)cc1F.
What is the InChIKey of N,N-dimethylmethanamine;2-fluoro-4-phenylaniline?
The InChIKey is OZYFUOZPFSYCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN.C3H9N/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9;1-4(2)3/h1-8H,14H2;1-3H3.
What are the key properties of N,N-dimethylmethanamine;2-fluoro-4-phenylaniline?
N,N-dimethylmethanamine;2-fluoro-4-phenylaniline has a molecular weight of 246.33 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;2-fluoro-4-phenylaniline is sourced from PubChem (CID 22288747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).