N-[(4-aminocyclohexyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline

C16H23F3N2 — CID 59230201

IUPACN-[(4-aminocyclohexyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline
SMILESCc1c(NCC2CCC(N)CC2)ccc(C(F)(F)F)c1C
InChIInChI=1S/C16H23F3N2/c1-10-11(2)15(8-7-14(10)16(17,18)19)21-9-12-3-5-13(20)6-4-12/h7-8,12-13,21H,3-6,9,20H2,1-2H3
InChIKeyYJJKTCGTFCVLPK-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.25
Rot. Bonds3

About N-[(4-aminocyclohexyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline

N-[(4-aminocyclohexyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline (PubChem CID 59230201) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline
PubChem CID59230201
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC NameN-[(4-aminocyclohexyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline
SMILESCc1c(NCC2CCC(N)CC2)ccc(C(F)(F)F)c1C
InChIInChI=1S/C16H23F3N2/c1-10-11(2)15(8-7-14(10)16(17,18)19)21-9-12-3-5-13(20)6-4-12/h7-8,12-13,21H,3-6,9,20H2,1-2H3
InChIKeyYJJKTCGTFCVLPK-UHFFFAOYSA-N
XLogP4.25
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline (CID 59230201) is N-[(4-aminocyclohexyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline is Cc1c(NCC2CCC(N)CC2)ccc(C(F)(F)F)c1C.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline?
The InChIKey is YJJKTCGTFCVLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-10-11(2)15(8-7-14(10)16(17,18)19)21-9-12-3-5-13(20)6-4-12/h7-8,12-13,21H,3-6,9,20H2,1-2H3.
What are the key properties of N-[(4-aminocyclohexyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline?
N-[(4-aminocyclohexyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline has a molecular weight of 300.37 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 59230201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).