4-N-(2,2-difluoro-2-phenylethyl)-4-N-propylbenzene-1,4-diamine

C17H20F2N2 — CID 116789710

IUPAC4-N-(2,2-difluoro-2-phenylethyl)-4-N-propylbenzene-1,4-diamine
SMILESCCCN(CC(F)(F)c1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C17H20F2N2/c1-2-12-21(16-10-8-15(20)9-11-16)13-17(18,19)14-6-4-3-5-7-14/h3-11H,2,12-13,20H2,1H3
InChIKeyUZTSKXSHHHAPDR-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.28
Rot. Bonds6

About 4-N-(2,2-difluoro-2-phenylethyl)-4-N-propylbenzene-1,4-diamine

4-N-(2,2-difluoro-2-phenylethyl)-4-N-propylbenzene-1,4-diamine (PubChem CID 116789710) has the molecular formula C17H20F2N2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-N-(2,2-difluoro-2-phenylethyl)-4-N-propylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,2-difluoro-2-phenylethyl)-4-N-propylbenzene-1,4-diamine
PubChem CID116789710
Molecular FormulaC17H20F2N2
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-N-(2,2-difluoro-2-phenylethyl)-4-N-propylbenzene-1,4-diamine
SMILESCCCN(CC(F)(F)c1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C17H20F2N2/c1-2-12-21(16-10-8-15(20)9-11-16)13-17(18,19)14-6-4-3-5-7-14/h3-11H,2,12-13,20H2,1H3
InChIKeyUZTSKXSHHHAPDR-UHFFFAOYSA-N
XLogP4.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

aniline;4-N,4-N-dipropylbenzene-1,4-diamine
CID 174806635
4-N,4-N-dipropylbenzene-1,4-diamine
CID 10219779
4-[1-(N-ethylanilino)-2-methylpropan-2-yl]aniline
CID 80556336
2-(4-amino-N-propylanilino)-N-phenylacetamide
CID 63233780
4-N-nonyl-4-N-propylbenzene-1,4-diamine
CID 63532780
N,N-dipropylaniline;ethane
CID 142135231
2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478278
1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923
4-N-[3-[3-(4-amino-N-propylanilino)propyl-butylamino]propyl]-4-N-propylbenzene-1,4-diamine
CID 58794851
4-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
CID 63233710
4-N-[(3,5-difluorophenyl)methyl]-4-N-propylbenzene-1,4-diamine
CID 105404060
3-(3-amino-N-propylanilino)-2,2-dimethylpropanoic acid
CID 79624524

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-difluoro-2-phenylethyl)-4-N-propylbenzene-1,4-diamine?
The IUPAC name of 4-N-(2,2-difluoro-2-phenylethyl)-4-N-propylbenzene-1,4-diamine (CID 116789710) is 4-N-(2,2-difluoro-2-phenylethyl)-4-N-propylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2,2-difluoro-2-phenylethyl)-4-N-propylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(2,2-difluoro-2-phenylethyl)-4-N-propylbenzene-1,4-diamine is CCCN(CC(F)(F)c1ccccc1)c1ccc(N)cc1.
What is the InChIKey of 4-N-(2,2-difluoro-2-phenylethyl)-4-N-propylbenzene-1,4-diamine?
The InChIKey is UZTSKXSHHHAPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2/c1-2-12-21(16-10-8-15(20)9-11-16)13-17(18,19)14-6-4-3-5-7-14/h3-11H,2,12-13,20H2,1H3.
What are the key properties of 4-N-(2,2-difluoro-2-phenylethyl)-4-N-propylbenzene-1,4-diamine?
4-N-(2,2-difluoro-2-phenylethyl)-4-N-propylbenzene-1,4-diamine has a molecular weight of 290.36 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-difluoro-2-phenylethyl)-4-N-propylbenzene-1,4-diamine is sourced from PubChem (CID 116789710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).