1-[2-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine

C10H13F3N2 — CID 66517614

IUPAC1-[2-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCc1ccc(C(F)(F)F)cc1C(N)CN
InChIInChI=1S/C10H13F3N2/c1-6-2-3-7(10(11,12)13)4-8(6)9(15)5-14/h2-4,9H,5,14-15H2,1H3
InChIKeyUGYYLMXOTUMXRV-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.97
Rot. Bonds2

About 1-[2-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine

1-[2-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 66517614) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-[2-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-[2-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID66517614
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name1-[2-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCc1ccc(C(F)(F)F)cc1C(N)CN
InChIInChI=1S/C10H13F3N2/c1-6-2-3-7(10(11,12)13)4-8(6)9(15)5-14/h2-4,9H,5,14-15H2,1H3
InChIKeyUGYYLMXOTUMXRV-UHFFFAOYSA-N
XLogP1.97
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(5-fluoro-2-methylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517054
[2-[(1R)-1,2-diaminoethyl]-5-(trifluoromethyl)phenyl]methanol
CID 66518100
(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 129373327
(1R)-1-(5-methoxy-2-methylphenyl)ethane-1,2-diamine
CID 130648897
2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 103517278
(1S)-1-[2,5-bis(trifluoromethyl)phenyl]propane-1,3-diamine
CID 171228404
(2S)-1-[2-methyl-5-(trifluoromethyl)phenyl]propan-2-amine
CID 70970416
(5-fluoro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753884
1-[2-methyl-4-(trifluoromethyl)phenyl]-2-propan-2-ylsulfanylethanamine
CID 102754214
(1R)-1-(2-amino-5-tert-butylphenyl)ethane-1,2-diamine
CID 66517150
1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine
CID 43825554
(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171209518

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of 1-[2-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 66517614) is 1-[2-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for 1-[2-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for 1-[2-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine is Cc1ccc(C(F)(F)F)cc1C(N)CN.
What is the InChIKey of 1-[2-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is UGYYLMXOTUMXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-6-2-3-7(10(11,12)13)4-8(6)9(15)5-14/h2-4,9H,5,14-15H2,1H3.
What are the key properties of 1-[2-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine?
1-[2-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 218.22 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 66517614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).