1-[(5-bromo-2-pyridinyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

C13H16BrF3N2 — CID 104802926

IUPAC1-[(5-bromo-2-pyridinyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(Cc2ccc(Br)cn2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H16BrF3N2/c14-10-1-2-11(19-8-10)7-12(18)5-3-9(4-6-12)13(15,16)17/h1-2,8-9H,3-7,18H2
InChIKeyGLCOWUWXSGIUBS-UHFFFAOYSA-N
MW337.18 g/mol
LogP3.84
Rot. Bonds2

About 1-[(5-bromo-2-pyridinyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

1-[(5-bromo-2-pyridinyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 104802926) has the molecular formula C13H16BrF3N2 and a molecular weight of 337.18 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID104802926
Molecular FormulaC13H16BrF3N2
Molecular Weight337.18 g/mol
Exact Mass336.04
IUPAC Name1-[(5-bromo-2-pyridinyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(Cc2ccc(Br)cn2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H16BrF3N2/c14-10-1-2-11(19-8-10)7-12(18)5-3-9(4-6-12)13(15,16)17/h1-2,8-9H,3-7,18H2
InChIKeyGLCOWUWXSGIUBS-UHFFFAOYSA-N
XLogP3.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromo-2-pyridinyl)methyl]cyclohexan-1-amine
CID 104802724
1-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 104802982
1-[(5-bromo-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol
CID 104801440
1-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755742
3-[(5-bromo-2-pyridinyl)methyl]-3-methylcyclopentan-1-ol
CID 116539892
1-[(5-bromo-2-pyridinyl)methyl]-4-(ethylamino)cyclohexan-1-ol
CID 104813045
[3-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
CID 104810974
1-[(5-bromo-2-pyridinyl)methyl]cycloheptane-1-carboxylic acid
CID 113456057
1-[(2,3-dichlorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 107307766
5-bromo-2-[(3-fluoropiperidin-3-yl)methyl]pyridine
CID 104814136
1-[1-[(5-bromo-2-pyridinyl)methyl]-4-butylcyclohexyl]-N-methylmethanamine
CID 104810592
[4-[(5-bromo-2-pyridinyl)methyl]oxan-4-yl]methanol
CID 104813123

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 104802926) is 1-[(5-bromo-2-pyridinyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is NC1(Cc2ccc(Br)cn2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is GLCOWUWXSGIUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF3N2/c14-10-1-2-11(19-8-10)7-12(18)5-3-9(4-6-12)13(15,16)17/h1-2,8-9H,3-7,18H2.
What are the key properties of 1-[(5-bromo-2-pyridinyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
1-[(5-bromo-2-pyridinyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 337.18 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-pyridinyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 104802926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).