4-[2-[amino(fluoro)amino]phenyl]-N,N-dimethylaniline

C14H16FN3 — CID 88603842

IUPAC4-[2-[amino(fluoro)amino]phenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2ccccc2N(N)F)cc1
InChIInChI=1S/C14H16FN3/c1-17(2)12-9-7-11(8-10-12)13-5-3-4-6-14(13)18(15)16/h3-10H,16H2,1-2H3
InChIKeyOEQUTGZXNSVDBI-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.98
Rot. Bonds3

About 4-[2-[amino(fluoro)amino]phenyl]-N,N-dimethylaniline

4-[2-[amino(fluoro)amino]phenyl]-N,N-dimethylaniline (PubChem CID 88603842) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-[2-[amino(fluoro)amino]phenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-[amino(fluoro)amino]phenyl]-N,N-dimethylaniline
PubChem CID88603842
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name4-[2-[amino(fluoro)amino]phenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2ccccc2N(N)F)cc1
InChIInChI=1S/C14H16FN3/c1-17(2)12-9-7-11(8-10-12)13-5-3-4-6-14(13)18(15)16/h3-10H,16H2,1-2H3
InChIKeyOEQUTGZXNSVDBI-UHFFFAOYSA-N
XLogP2.98
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(dimethylamino)phenyl]-N,N-diethylaniline
CID 173255572
azane;N,N-dimethyl-2-phenylaniline
CID 162317872
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121387002
4-[2-(chloromethyl)phenyl]-N,N-dimethylaniline
CID 43840308
N-methyl-N,2-bis(4-phenylphenyl)aniline;propane
CID 145370298
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
N-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
CID 87182000
[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]borinic acid
CID 145128679
3-[4-(dimethylamino)phenyl]-4-fluoroaniline
CID 104781143
N-methyl-3,4-diphenyl-N-(2-phenylphenyl)aniline
CID 163746160
N-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 170567774
N,N-dimethylaniline
CID 70392672

Frequently Asked Questions

What is the IUPAC name of 4-[2-[amino(fluoro)amino]phenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-[amino(fluoro)amino]phenyl]-N,N-dimethylaniline (CID 88603842) is 4-[2-[amino(fluoro)amino]phenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-[amino(fluoro)amino]phenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-[amino(fluoro)amino]phenyl]-N,N-dimethylaniline is CN(C)c1ccc(-c2ccccc2N(N)F)cc1.
What is the InChIKey of 4-[2-[amino(fluoro)amino]phenyl]-N,N-dimethylaniline?
The InChIKey is OEQUTGZXNSVDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-17(2)12-9-7-11(8-10-12)13-5-3-4-6-14(13)18(15)16/h3-10H,16H2,1-2H3.
What are the key properties of 4-[2-[amino(fluoro)amino]phenyl]-N,N-dimethylaniline?
4-[2-[amino(fluoro)amino]phenyl]-N,N-dimethylaniline has a molecular weight of 245.30 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[amino(fluoro)amino]phenyl]-N,N-dimethylaniline is sourced from PubChem (CID 88603842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).