N-[(2-bromophenyl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C15H19BrF3NO — CID 43435216

IUPACN-[(2-bromophenyl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESFC(F)(F)COC1CCCC(NCc2ccccc2Br)C1
InChIInChI=1S/C15H19BrF3NO/c16-14-7-2-1-4-11(14)9-20-12-5-3-6-13(8-12)21-10-15(17,18)19/h1-2,4,7,12-13,20H,3,5-6,8-10H2
InChIKeyVHNOVNXQJGYCDE-UHFFFAOYSA-N
MW366.22 g/mol
LogP4.43
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-[(2-bromophenyl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 43435216) has the molecular formula C15H19BrF3NO and a molecular weight of 366.22 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID43435216
Molecular FormulaC15H19BrF3NO
Molecular Weight366.22 g/mol
Exact Mass365.06
IUPAC NameN-[(2-bromophenyl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESFC(F)(F)COC1CCCC(NCc2ccccc2Br)C1
InChIInChI=1S/C15H19BrF3NO/c16-14-7-2-1-4-11(14)9-20-12-5-3-6-13(8-12)21-10-15(17,18)19/h1-2,4,7,12-13,20H,3,5-6,8-10H2
InChIKeyVHNOVNXQJGYCDE-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-fluorophenyl)methyl]oxan-4-amine
CID 43609892
N-[(3-bromo-4-fluorophenyl)methyl]-2,6-dimethyloxan-4-amine
CID 66670157
N-[(3-bromo-4-fluorophenyl)methyl]-2,2-dimethyloxan-4-amine
CID 66670230
3-propan-2-yloxy-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 141080628
trans-(1R,5R)-5-(benzylamino)-2,2-difluorocyclohexan-1-ol
CID 168253442
trans-(1R,3R)-N-benzyl-4,4-difluoro-3-methoxycyclohexan-1-amine
CID 168253455
N-benzyl-4,4-difluoro-3-methoxycyclohexan-1-amine
CID 169705109
5-(Benzylamino)-2,2-difluorocyclohexan-1-ol
CID 169726041
[(1R,3S)-3-[[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino]cyclohexyl] carbamate
CID 174989462
[(1R,3S)-3-[[1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino]cyclohexyl] carbamate
CID 174989463
[3-[[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino]cyclohexyl] carbamate
CID 174989464
N-[(2-bromo-6-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 3907336

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 43435216) is N-[(2-bromophenyl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is FC(F)(F)COC1CCCC(NCc2ccccc2Br)C1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is VHNOVNXQJGYCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF3NO/c16-14-7-2-1-4-11(14)9-20-12-5-3-6-13(8-12)21-10-15(17,18)19/h1-2,4,7,12-13,20H,3,5-6,8-10H2.
What are the key properties of N-[(2-bromophenyl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-[(2-bromophenyl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 366.22 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 43435216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).