N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-3-(trifluoromethyl)aniline

C16H20F3N — CID 79554761

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-3-(trifluoromethyl)aniline
SMILESCc1ccc(NCC2CC3CCC2C3)cc1C(F)(F)F
InChIInChI=1S/C16H20F3N/c1-10-2-5-14(8-15(10)16(17,18)19)20-9-13-7-11-3-4-12(13)6-11/h2,5,8,11-13,20H,3-4,6-7,9H2,1H3
InChIKeyHRSGJORAXIMYTD-UHFFFAOYSA-N
MW283.34 g/mol
LogP4.86
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-3-(trifluoromethyl)aniline

N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-3-(trifluoromethyl)aniline (PubChem CID 79554761) has the molecular formula C16H20F3N and a molecular weight of 283.34 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-3-(trifluoromethyl)aniline
PubChem CID79554761
Molecular FormulaC16H20F3N
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-3-(trifluoromethyl)aniline
SMILESCc1ccc(NCC2CC3CCC2C3)cc1C(F)(F)F
InChIInChI=1S/C16H20F3N/c1-10-2-5-14(8-15(10)16(17,18)19)20-9-13-7-11-3-4-12(13)6-11/h2,5,8,11-13,20H,3-4,6-7,9H2,1H3
InChIKeyHRSGJORAXIMYTD-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-3-(trifluoromethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methyl-4-nitroaniline
CID 63682342
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylaniline
CID 79554012
N-(3,3-dimethylbutyl)-4-methyl-3-(trifluoromethyl)aniline
CID 63455402
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-tert-butylaniline
CID 79551827
N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-benzothiazol-6-amine
CID 114003116
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565083
5-(2-bicyclo[2.2.1]heptanylmethylamino)pyridine-2-carboxylic acid
CID 115490922
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylpyridine-2,5-diamine
CID 63689946
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methoxy-2-methylaniline
CID 79555117
1-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-3-[3-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylcarbamoylamino]-4-methylphenyl]urea
CID 98153440
N-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 51027081
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-3-methylaniline
CID 114252026

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-3-(trifluoromethyl)aniline?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-3-(trifluoromethyl)aniline (CID 79554761) is N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-3-(trifluoromethyl)aniline?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-3-(trifluoromethyl)aniline is Cc1ccc(NCC2CC3CCC2C3)cc1C(F)(F)F.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-3-(trifluoromethyl)aniline?
The InChIKey is HRSGJORAXIMYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N/c1-10-2-5-14(8-15(10)16(17,18)19)20-9-13-7-11-3-4-12(13)6-11/h2,5,8,11-13,20H,3-4,6-7,9H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-3-(trifluoromethyl)aniline?
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-3-(trifluoromethyl)aniline has a molecular weight of 283.34 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 79554761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).