2-[[(3-bromo-2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol

C14H18BrF2NO — CID 106263498

IUPAC2-[[(3-bromo-2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCc1c(F)ccc(Br)c1F
InChIInChI=1S/C14H18BrF2NO/c15-11-5-6-12(16)10(14(11)17)8-18-7-9-3-1-2-4-13(9)19/h5-6,9,13,18-19H,1-4,7-8H2
InChIKeyYSMIJIMCPPZNNX-UHFFFAOYSA-N
MW334.20 g/mol
LogP3.37
Rot. Bonds4

About 2-[[(3-bromo-2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol

2-[[(3-bromo-2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 106263498) has the molecular formula C14H18BrF2NO and a molecular weight of 334.20 g/mol. Its IUPAC name is 2-[[(3-bromo-2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(3-bromo-2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID106263498
Molecular FormulaC14H18BrF2NO
Molecular Weight334.20 g/mol
Exact Mass333.05
IUPAC Name2-[[(3-bromo-2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCc1c(F)ccc(Br)c1F
InChIInChI=1S/C14H18BrF2NO/c15-11-5-6-12(16)10(14(11)17)8-18-7-9-3-1-2-4-13(9)19/h5-6,9,13,18-19H,1-4,7-8H2
InChIKeyYSMIJIMCPPZNNX-UHFFFAOYSA-N
XLogP3.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 106263351
2-[[(2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 64926870
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 106263727
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(thian-4-yl)methanamine
CID 106263755
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(thiolan-2-yl)methanamine
CID 106263581
N-[(3-bromo-2,6-difluorophenyl)methyl]-3-cyclopentylpropan-1-amine
CID 106263912
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 106263910
N-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylbut-2-en-1-amine
CID 106263936
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-methylsulfanylcyclohexan-1-amine
CID 106263890
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(1,4-dithian-2-yl)methanamine
CID 114165712
1-(3-bromo-2,6-difluorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 114165735
trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol
CID 2733721

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-bromo-2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(3-bromo-2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol (CID 106263498) is 2-[[(3-bromo-2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(3-bromo-2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(3-bromo-2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol is OC1CCCCC1CNCc1c(F)ccc(Br)c1F.
What is the InChIKey of 2-[[(3-bromo-2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is YSMIJIMCPPZNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF2NO/c15-11-5-6-12(16)10(14(11)17)8-18-7-9-3-1-2-4-13(9)19/h5-6,9,13,18-19H,1-4,7-8H2.
What are the key properties of 2-[[(3-bromo-2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol?
2-[[(3-bromo-2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 334.20 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-bromo-2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106263498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).