2-(aminomethyl)-2-[(3-bromo-4-fluorophenyl)methyl]cyclohexan-1-ol

C14H19BrFNO — CID 65394850

IUPAC2-(aminomethyl)-2-[(3-bromo-4-fluorophenyl)methyl]cyclohexan-1-ol
SMILESNCC1(Cc2ccc(F)c(Br)c2)CCCCC1O
InChIInChI=1S/C14H19BrFNO/c15-11-7-10(4-5-12(11)16)8-14(9-17)6-2-1-3-13(14)18/h4-5,7,13,18H,1-3,6,8-9,17H2
InChIKeyCTHWHAGBYOQZEO-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.01
Rot. Bonds3

About 2-(aminomethyl)-2-[(3-bromo-4-fluorophenyl)methyl]cyclohexan-1-ol

2-(aminomethyl)-2-[(3-bromo-4-fluorophenyl)methyl]cyclohexan-1-ol (PubChem CID 65394850) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(3-bromo-4-fluorophenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(3-bromo-4-fluorophenyl)methyl]cyclohexan-1-ol
PubChem CID65394850
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name2-(aminomethyl)-2-[(3-bromo-4-fluorophenyl)methyl]cyclohexan-1-ol
SMILESNCC1(Cc2ccc(F)c(Br)c2)CCCCC1O
InChIInChI=1S/C14H19BrFNO/c15-11-7-10(4-5-12(11)16)8-14(9-17)6-2-1-3-13(14)18/h4-5,7,13,18H,1-3,6,8-9,17H2
InChIKeyCTHWHAGBYOQZEO-UHFFFAOYSA-N
XLogP3.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2-[(2,4-difluorophenyl)methyl]cyclohexan-1-ol
CID 65393607
2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]cyclohexan-1-ol
CID 65394644
2-(aminomethyl)-2-[(2-bromo-4-nitrophenyl)methyl]cyclohexan-1-ol
CID 65393397
2-(aminomethyl)-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol
CID 65393815
1-[(3-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65079897
[1-[(3-bromo-4-fluorophenyl)methyl]cyclopropyl]methanol
CID 66024777
2-(aminomethyl)-2-[(2-methylphenyl)methyl]cyclohexan-1-ol
CID 65393602
1-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclohexan-1-ol
CID 54971162
2-(aminomethyl)-2-[(2-chloro-4-fluorophenyl)methyl]cyclopentan-1-ol
CID 65395688
1-[(3-bromo-4-fluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086513
1-[(3-bromo-4-fluorophenyl)methyl]-4-propylcycloheptan-1-amine
CID 65086350
1-[(3-bromo-4-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol
CID 65086137

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(3-bromo-4-fluorophenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[(3-bromo-4-fluorophenyl)methyl]cyclohexan-1-ol (CID 65394850) is 2-(aminomethyl)-2-[(3-bromo-4-fluorophenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[(3-bromo-4-fluorophenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[(3-bromo-4-fluorophenyl)methyl]cyclohexan-1-ol is NCC1(Cc2ccc(F)c(Br)c2)CCCCC1O.
What is the InChIKey of 2-(aminomethyl)-2-[(3-bromo-4-fluorophenyl)methyl]cyclohexan-1-ol?
The InChIKey is CTHWHAGBYOQZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c15-11-7-10(4-5-12(11)16)8-14(9-17)6-2-1-3-13(14)18/h4-5,7,13,18H,1-3,6,8-9,17H2.
What are the key properties of 2-(aminomethyl)-2-[(3-bromo-4-fluorophenyl)methyl]cyclohexan-1-ol?
2-(aminomethyl)-2-[(3-bromo-4-fluorophenyl)methyl]cyclohexan-1-ol has a molecular weight of 316.21 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(3-bromo-4-fluorophenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65394850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).