[2-bromo-4-(cyclohexylmethoxy)-3-fluorophenyl]methanamine

C14H19BrFNO — CID 107532694

IUPAC[2-bromo-4-(cyclohexylmethoxy)-3-fluorophenyl]methanamine
SMILESNCc1ccc(OCC2CCCCC2)c(F)c1Br
InChIInChI=1S/C14H19BrFNO/c15-13-11(8-17)6-7-12(14(13)16)18-9-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9,17H2
InChIKeyHNTXDYLOQJXHFZ-UHFFFAOYSA-N
MW316.21 g/mol
LogP4.01
Rot. Bonds4

About [2-bromo-4-(cyclohexylmethoxy)-3-fluorophenyl]methanamine

[2-bromo-4-(cyclohexylmethoxy)-3-fluorophenyl]methanamine (PubChem CID 107532694) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is [2-bromo-4-(cyclohexylmethoxy)-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-4-(cyclohexylmethoxy)-3-fluorophenyl]methanamine
PubChem CID107532694
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name[2-bromo-4-(cyclohexylmethoxy)-3-fluorophenyl]methanamine
SMILESNCc1ccc(OCC2CCCCC2)c(F)c1Br
InChIInChI=1S/C14H19BrFNO/c15-13-11(8-17)6-7-12(14(13)16)18-9-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9,17H2
InChIKeyHNTXDYLOQJXHFZ-UHFFFAOYSA-N
XLogP4.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-bromo-4-(cyclohexylmethoxy)-3-fluorophenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-bromo-2-(cyclopentylmethoxy)phenyl]methanamine
CID 61344976
[5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine
CID 43141776
[3-bromo-4-(cyclohexylmethoxy)phenyl]methanamine
CID 63046526
1-(cyclopentylmethoxy)-4-(cyclopropylmethyl)-2-fluoro-3-methylbenzene
CID 159362003
[2-bromo-4-(3-ethylcyclohexyl)oxy-3-fluorophenyl]methanamine
CID 107532709
[2-bromo-4-(2,2-difluoroethoxy)-3-fluorophenyl]methanamine
CID 107532733
[2-bromo-4-(cyclopentylmethoxy)phenyl]methanamine
CID 107275264
4-(aminomethyl)-3-bromo-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 107532385
1-(cyclobutylmethoxy)-4-cyclopropyloxy-2,3-difluorobenzene
CID 153282322
2-(cyclopentylmethoxy)-1,7,8-trifluorobiphenylene
CID 134473145
2-(cyclopentylmethoxy)-7-ethoxy-1,8-difluorophenanthrene
CID 177267198
[3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine
CID 65457318

Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-(cyclohexylmethoxy)-3-fluorophenyl]methanamine?
The IUPAC name of [2-bromo-4-(cyclohexylmethoxy)-3-fluorophenyl]methanamine (CID 107532694) is [2-bromo-4-(cyclohexylmethoxy)-3-fluorophenyl]methanamine.
What is the SMILES notation for [2-bromo-4-(cyclohexylmethoxy)-3-fluorophenyl]methanamine?
The canonical SMILES for [2-bromo-4-(cyclohexylmethoxy)-3-fluorophenyl]methanamine is NCc1ccc(OCC2CCCCC2)c(F)c1Br.
What is the InChIKey of [2-bromo-4-(cyclohexylmethoxy)-3-fluorophenyl]methanamine?
The InChIKey is HNTXDYLOQJXHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c15-13-11(8-17)6-7-12(14(13)16)18-9-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9,17H2.
What are the key properties of [2-bromo-4-(cyclohexylmethoxy)-3-fluorophenyl]methanamine?
[2-bromo-4-(cyclohexylmethoxy)-3-fluorophenyl]methanamine has a molecular weight of 316.21 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-(cyclohexylmethoxy)-3-fluorophenyl]methanamine is sourced from PubChem (CID 107532694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).