[1-[(2-bromo-5-fluorophenyl)methyl]-4-butylcyclohexyl]methanamine

C18H27BrFN — CID 63520722

IUPAC[1-[(2-bromo-5-fluorophenyl)methyl]-4-butylcyclohexyl]methanamine
SMILESCCCCC1CCC(CN)(Cc2cc(F)ccc2Br)CC1
InChIInChI=1S/C18H27BrFN/c1-2-3-4-14-7-9-18(13-21,10-8-14)12-15-11-16(20)5-6-17(15)19/h5-6,11,14H,2-4,7-10,12-13,21H2,1H3
InChIKeyFDSYNQPVGSNLEK-UHFFFAOYSA-N
MW356.32 g/mol
LogP5.46
Rot. Bonds6

About [1-[(2-bromo-5-fluorophenyl)methyl]-4-butylcyclohexyl]methanamine

[1-[(2-bromo-5-fluorophenyl)methyl]-4-butylcyclohexyl]methanamine (PubChem CID 63520722) has the molecular formula C18H27BrFN and a molecular weight of 356.32 g/mol. Its IUPAC name is [1-[(2-bromo-5-fluorophenyl)methyl]-4-butylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(2-bromo-5-fluorophenyl)methyl]-4-butylcyclohexyl]methanamine
PubChem CID63520722
Molecular FormulaC18H27BrFN
Molecular Weight356.32 g/mol
Exact Mass355.13
IUPAC Name[1-[(2-bromo-5-fluorophenyl)methyl]-4-butylcyclohexyl]methanamine
SMILESCCCCC1CCC(CN)(Cc2cc(F)ccc2Br)CC1
InChIInChI=1S/C18H27BrFN/c1-2-3-4-14-7-9-18(13-21,10-8-14)12-15-11-16(20)5-6-17(15)19/h5-6,11,14H,2-4,7-10,12-13,21H2,1H3
InChIKeyFDSYNQPVGSNLEK-UHFFFAOYSA-N
XLogP5.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.32
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [1-[(2-bromo-5-fluorophenyl)methyl]-4-butylcyclohexyl]methanamine with MolForge

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Related Compounds

1-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63407677
[1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methanamine
CID 62723685
1-[[1-(bromomethyl)-4-butylcyclohexyl]methyl]-2,4-difluorobenzene
CID 66050829
[4-butyl-1-[(3,4-difluorophenyl)methyl]cyclohexyl]methanamine
CID 82925896
1-[[4-butyl-1-(chloromethyl)cyclohexyl]methyl]-2-chloro-4-fluorobenzene
CID 66034851
[1-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine
CID 65424670
[1-[(2-chloro-5-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine
CID 102621042
[1-[(2-methoxy-5-methylphenyl)methyl]-4-propylcyclohexyl]methanamine
CID 65423317
1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcyclohexan-1-amine
CID 105373056
N-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63452721
N-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194817
[1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 105375873

Frequently Asked Questions

What is the IUPAC name of [1-[(2-bromo-5-fluorophenyl)methyl]-4-butylcyclohexyl]methanamine?
The IUPAC name of [1-[(2-bromo-5-fluorophenyl)methyl]-4-butylcyclohexyl]methanamine (CID 63520722) is [1-[(2-bromo-5-fluorophenyl)methyl]-4-butylcyclohexyl]methanamine.
What is the SMILES notation for [1-[(2-bromo-5-fluorophenyl)methyl]-4-butylcyclohexyl]methanamine?
The canonical SMILES for [1-[(2-bromo-5-fluorophenyl)methyl]-4-butylcyclohexyl]methanamine is CCCCC1CCC(CN)(Cc2cc(F)ccc2Br)CC1.
What is the InChIKey of [1-[(2-bromo-5-fluorophenyl)methyl]-4-butylcyclohexyl]methanamine?
The InChIKey is FDSYNQPVGSNLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrFN/c1-2-3-4-14-7-9-18(13-21,10-8-14)12-15-11-16(20)5-6-17(15)19/h5-6,11,14H,2-4,7-10,12-13,21H2,1H3.
What are the key properties of [1-[(2-bromo-5-fluorophenyl)methyl]-4-butylcyclohexyl]methanamine?
[1-[(2-bromo-5-fluorophenyl)methyl]-4-butylcyclohexyl]methanamine has a molecular weight of 356.32 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-bromo-5-fluorophenyl)methyl]-4-butylcyclohexyl]methanamine is sourced from PubChem (CID 63520722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).