N-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine

C16H17F3N2 — CID 65377988

IUPACN-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCc1cccc(NC(CN)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H17F3N2/c1-11-3-2-4-14(9-11)21-15(10-20)12-5-7-13(8-6-12)16(17,18)19/h2-9,15,21H,10,20H2,1H3
InChIKeySFFBCHHQFNYQAM-UHFFFAOYSA-N
MW294.32 g/mol
LogP4.13
Rot. Bonds4

About N-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine

N-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 65377988) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID65377988
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC NameN-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCc1cccc(NC(CN)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H17F3N2/c1-11-3-2-4-14(9-11)21-15(10-20)12-5-7-13(8-6-12)16(17,18)19/h2-9,15,21H,10,20H2,1H3
InChIKeySFFBCHHQFNYQAM-UHFFFAOYSA-N
XLogP4.13
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65378734
1-[4-(dimethylamino)phenyl]-N-(3-methylphenyl)ethane-1,2-diamine
CID 65377987
1-(3-chloro-4-fluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 81144777
N-(3-methylphenyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65378191
1-(3-methylphenyl)-N-phenylethane-1,2-diamine
CID 65380714
2-(3-bromoanilino)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 61047867
N-(3-methylphenyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 65376750
1-(2,3-difluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 65377575
N-(3,5-dimethylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 82131994
3-[[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]amino]propan-1-ol
CID 65376991
2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 79422480
N-[1-(4-fluorophenyl)propyl]-3-(trifluoromethyl)aniline
CID 43095598

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 65377988) is N-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine is Cc1cccc(NC(CN)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is SFFBCHHQFNYQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c1-11-3-2-4-14(9-11)21-15(10-20)12-5-7-13(8-6-12)16(17,18)19/h2-9,15,21H,10,20H2,1H3.
What are the key properties of N-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
N-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 294.32 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 65377988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).