4-N-[3-[4-(trifluoromethyl)phenyl]propyl]benzene-1,4-diamine

C16H17F3N2 — CID 170212771

IUPAC4-N-[3-[4-(trifluoromethyl)phenyl]propyl]benzene-1,4-diamine
SMILESNc1ccc(NCCCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H17F3N2/c17-16(18,19)13-5-3-12(4-6-13)2-1-11-21-15-9-7-14(20)8-10-15/h3-10,21H,1-2,11,20H2
InChIKeyAVTBIQQUSLDRQK-UHFFFAOYSA-N
MW294.32 g/mol
LogP4.33
Rot. Bonds5

About 4-N-[3-[4-(trifluoromethyl)phenyl]propyl]benzene-1,4-diamine

4-N-[3-[4-(trifluoromethyl)phenyl]propyl]benzene-1,4-diamine (PubChem CID 170212771) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 4-N-[3-[4-(trifluoromethyl)phenyl]propyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[3-[4-(trifluoromethyl)phenyl]propyl]benzene-1,4-diamine
PubChem CID170212771
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC Name4-N-[3-[4-(trifluoromethyl)phenyl]propyl]benzene-1,4-diamine
SMILESNc1ccc(NCCCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H17F3N2/c17-16(18,19)13-5-3-12(4-6-13)2-1-11-21-15-9-7-14(20)8-10-15/h3-10,21H,1-2,11,20H2
InChIKeyAVTBIQQUSLDRQK-UHFFFAOYSA-N
XLogP4.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-[4-(4-aminophenyl)butyl]benzene-1,4-diamine
CID 58212339
N-[3-[4-(trifluoromethyl)phenyl]propyl]aniline;hydrochloride
CID 69042120
N-(4-chlorobutyl)-4-(trifluoromethyl)aniline
CID 46941334
4-[3-[4-[2-[4-[3-(4-aminophenyl)propyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]propyl]aniline
CID 139935965
4-[3-(4,4,4-trifluorobutylamino)propyl]aniline
CID 113327688
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63535943
N-[2-(4-aminophenyl)ethyl]pyridin-4-amine
CID 61220223
N-decyl-4-(trifluoromethyl)aniline
CID 63488784
disodium;anilinomethanesulfonate;4-[[4-(trifluoromethyl)phenyl]diazenyl]aniline;4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]aniline;[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]anilino]methanesulfonate;3-[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]propan-1-ol
CID 159811386
N',N'-dimethyl-N-[4-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 62648258
4-[4-(trifluoromethyl)anilino]butanenitrile
CID 28575681
molecular iodine;4-(trifluoromethyl)aniline
CID 158841642

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-[4-(trifluoromethyl)phenyl]propyl]benzene-1,4-diamine?
The IUPAC name of 4-N-[3-[4-(trifluoromethyl)phenyl]propyl]benzene-1,4-diamine (CID 170212771) is 4-N-[3-[4-(trifluoromethyl)phenyl]propyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[3-[4-(trifluoromethyl)phenyl]propyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[3-[4-(trifluoromethyl)phenyl]propyl]benzene-1,4-diamine is Nc1ccc(NCCCc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-N-[3-[4-(trifluoromethyl)phenyl]propyl]benzene-1,4-diamine?
The InChIKey is AVTBIQQUSLDRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c17-16(18,19)13-5-3-12(4-6-13)2-1-11-21-15-9-7-14(20)8-10-15/h3-10,21H,1-2,11,20H2.
What are the key properties of 4-N-[3-[4-(trifluoromethyl)phenyl]propyl]benzene-1,4-diamine?
4-N-[3-[4-(trifluoromethyl)phenyl]propyl]benzene-1,4-diamine has a molecular weight of 294.32 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[4-(trifluoromethyl)phenyl]propyl]benzene-1,4-diamine is sourced from PubChem (CID 170212771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).