N-[2-methyl-5-(trifluoromethyl)phenyl]cycloheptanamine

C15H20F3N — CID 66479132

IUPACN-[2-methyl-5-(trifluoromethyl)phenyl]cycloheptanamine
SMILESCc1ccc(C(F)(F)F)cc1NC1CCCCCC1
InChIInChI=1S/C15H20F3N/c1-11-8-9-12(15(16,17)18)10-14(11)19-13-6-4-2-3-5-7-13/h8-10,13,19H,2-7H2,1H3
InChIKeyHFUCHPWZDGPMKC-UHFFFAOYSA-N
MW271.33 g/mol
LogP5.15
Rot. Bonds2

About N-[2-methyl-5-(trifluoromethyl)phenyl]cycloheptanamine

N-[2-methyl-5-(trifluoromethyl)phenyl]cycloheptanamine (PubChem CID 66479132) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is N-[2-methyl-5-(trifluoromethyl)phenyl]cycloheptanamine.

Molecular Properties

Compound NameN-[2-methyl-5-(trifluoromethyl)phenyl]cycloheptanamine
PubChem CID66479132
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC NameN-[2-methyl-5-(trifluoromethyl)phenyl]cycloheptanamine
SMILESCc1ccc(C(F)(F)F)cc1NC1CCCCCC1
InChIInChI=1S/C15H20F3N/c1-11-8-9-12(15(16,17)18)10-14(11)19-13-6-4-2-3-5-7-13/h8-10,13,19H,2-7H2,1H3
InChIKeyHFUCHPWZDGPMKC-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.33
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine
CID 66480329
3-N-cyclooctyl-4-methylbenzene-1,3-diamine
CID 62590310
N-[4-methyl-3-(trifluoromethyl)phenyl]cyclooctanamine
CID 63455762
2-[2-methyl-5-(trifluoromethyl)anilino]cyclobutane-1-carboxylic acid
CID 103255428
N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 8009827
2-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81246651
2-methyl-N-oxido-5-(trifluoromethyl)aniline
CID 176656270
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylazepan-4-amine
CID 65070888
N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
CID 55144195
1-amino-2-cyclopentyl-3-[2-methyl-5-(trifluoromethyl)phenyl]guanidine
CID 116515674
N-[4-[[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 17458180
4-N-[2-fluoro-4-(trifluoromethyl)phenyl]-1-N-methylcyclohexane-1,4-diamine
CID 107303820

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(trifluoromethyl)phenyl]cycloheptanamine?
The IUPAC name of N-[2-methyl-5-(trifluoromethyl)phenyl]cycloheptanamine (CID 66479132) is N-[2-methyl-5-(trifluoromethyl)phenyl]cycloheptanamine.
What is the SMILES notation for N-[2-methyl-5-(trifluoromethyl)phenyl]cycloheptanamine?
The canonical SMILES for N-[2-methyl-5-(trifluoromethyl)phenyl]cycloheptanamine is Cc1ccc(C(F)(F)F)cc1NC1CCCCCC1.
What is the InChIKey of N-[2-methyl-5-(trifluoromethyl)phenyl]cycloheptanamine?
The InChIKey is HFUCHPWZDGPMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-11-8-9-12(15(16,17)18)10-14(11)19-13-6-4-2-3-5-7-13/h8-10,13,19H,2-7H2,1H3.
What are the key properties of N-[2-methyl-5-(trifluoromethyl)phenyl]cycloheptanamine?
N-[2-methyl-5-(trifluoromethyl)phenyl]cycloheptanamine has a molecular weight of 271.33 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(trifluoromethyl)phenyl]cycloheptanamine is sourced from PubChem (CID 66479132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).