N-[(3-bromo-4-methylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

C15H19BrF3N — CID 105401359

IUPACN-[(3-bromo-4-methylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1ccc(CNC2CCCC(C(F)(F)F)C2)cc1Br
InChIInChI=1S/C15H19BrF3N/c1-10-5-6-11(7-14(10)16)9-20-13-4-2-3-12(8-13)15(17,18)19/h5-7,12-13,20H,2-4,8-9H2,1H3
InChIKeySLPKRPHRTGKLEF-UHFFFAOYSA-N
MW350.22 g/mol
LogP4.97
Rot. Bonds3

About N-[(3-bromo-4-methylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

N-[(3-bromo-4-methylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 105401359) has the molecular formula C15H19BrF3N and a molecular weight of 350.22 g/mol. Its IUPAC name is N-[(3-bromo-4-methylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-methylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID105401359
Molecular FormulaC15H19BrF3N
Molecular Weight350.22 g/mol
Exact Mass349.07
IUPAC NameN-[(3-bromo-4-methylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1ccc(CNC2CCCC(C(F)(F)F)C2)cc1Br
InChIInChI=1S/C15H19BrF3N/c1-10-5-6-11(7-14(10)16)9-20-13-4-2-3-12(8-13)15(17,18)19/h5-7,12-13,20H,2-4,8-9H2,1H3
InChIKeySLPKRPHRTGKLEF-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]methanol
CID 102609613
N-[(3-bromo-4-methylphenyl)methyl]-4-propylcyclohexan-1-amine
CID 105401447
N-[2-methoxy-5-[[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]acetamide
CID 99626257
N-[(5-bromofuran-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747402
3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]benzamide
CID 60977331
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]cyclobutanamine
CID 107342333
N-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 106415094
N-[(3-bromo-4-fluorophenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 113237893
N-[(3-bromo-4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 105401472
5-bromo-4-fluoro-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline
CID 107591458
N-[(3-bromo-4-methylphenyl)methyl]adamantan-2-amine
CID 105401271
N-[(3-bromo-4-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 105401525

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(3-bromo-4-methylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 105401359) is N-[(3-bromo-4-methylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(3-bromo-4-methylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(3-bromo-4-methylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is Cc1ccc(CNC2CCCC(C(F)(F)F)C2)cc1Br.
What is the InChIKey of N-[(3-bromo-4-methylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is SLPKRPHRTGKLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF3N/c1-10-5-6-11(7-14(10)16)9-20-13-4-2-3-12(8-13)15(17,18)19/h5-7,12-13,20H,2-4,8-9H2,1H3.
What are the key properties of N-[(3-bromo-4-methylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
N-[(3-bromo-4-methylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 350.22 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 105401359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).