[2-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexyl]methanamine

C16H22BrF2N — CID 106943871

IUPAC[2-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(c2c(F)ccc(Br)c2F)C1
InChIInChI=1S/C16H22BrF2N/c1-2-3-10-4-5-11(9-20)12(8-10)15-14(18)7-6-13(17)16(15)19/h6-7,10-12H,2-5,8-9,20H2,1H3
InChIKeyMXPYEYHGXNUKHO-UHFFFAOYSA-N
MW346.26 g/mol
LogP4.99
Rot. Bonds4

About [2-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexyl]methanamine

[2-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexyl]methanamine (PubChem CID 106943871) has the molecular formula C16H22BrF2N and a molecular weight of 346.26 g/mol. Its IUPAC name is [2-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexyl]methanamine
PubChem CID106943871
Molecular FormulaC16H22BrF2N
Molecular Weight346.26 g/mol
Exact Mass345.09
IUPAC Name[2-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(c2c(F)ccc(Br)c2F)C1
InChIInChI=1S/C16H22BrF2N/c1-2-3-10-4-5-11(9-20)12(8-10)15-14(18)7-6-13(17)16(15)19/h6-7,10-12H,2-5,8-9,20H2,1H3
InChIKeyMXPYEYHGXNUKHO-UHFFFAOYSA-N
XLogP4.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,6-difluoro-3-methylphenyl)-4-propylcyclohexyl]methanamine
CID 82828508
[2-(4-fluorophenyl)-4-propylcyclohexyl]methanamine
CID 81012117
[2-(3-bromo-2-fluorophenyl)-4-ethylcyclohexyl]methanamine
CID 106646962
[2-(furan-3-yl)-4-propylcyclohexyl]methanamine
CID 81012027
1-[2-(3-bromo-2,6-difluorophenyl)cyclobutyl]-N-methylmethanamine
CID 106943885
[2-(5-fluoro-1-benzofuran-2-yl)-4-propylcyclohexyl]methanamine
CID 114735548
2-(aminomethyl)-5-propylcyclohexan-1-amine
CID 62070306
1-bromo-2,3-difluoro-4-(3-propylcyclopentyl)oxybenzene
CID 118362130
1-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexan-1-amine
CID 106941547
1-[2-(3,4-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 81029742
[2-[(3-fluorophenyl)methyl]-4-propylcyclohexyl]methanamine
CID 81012992
1-[2-(3-bromo-2,6-difluorophenyl)cycloheptyl]-N-methylmethanamine
CID 106943912

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexyl]methanamine (CID 106943871) is [2-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(c2c(F)ccc(Br)c2F)C1.
What is the InChIKey of [2-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexyl]methanamine?
The InChIKey is MXPYEYHGXNUKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrF2N/c1-2-3-10-4-5-11(9-20)12(8-10)15-14(18)7-6-13(17)16(15)19/h6-7,10-12H,2-5,8-9,20H2,1H3.
What are the key properties of [2-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexyl]methanamine?
[2-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexyl]methanamine has a molecular weight of 346.26 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 106943871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).