1-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexan-1-amine

C15H20BrF2N — CID 106941547

IUPAC1-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(c2c(F)ccc(Br)c2F)CC1
InChIInChI=1S/C15H20BrF2N/c1-2-3-10-6-8-15(19,9-7-10)13-12(17)5-4-11(16)14(13)18/h4-5,10H,2-3,6-9,19H2,1H3
InChIKeyWWGLDGNYDOCISA-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.87
Rot. Bonds3

About 1-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexan-1-amine

1-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexan-1-amine (PubChem CID 106941547) has the molecular formula C15H20BrF2N and a molecular weight of 332.23 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexan-1-amine
PubChem CID106941547
Molecular FormulaC15H20BrF2N
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(c2c(F)ccc(Br)c2F)CC1
InChIInChI=1S/C15H20BrF2N/c1-2-3-10-6-8-15(19,9-7-10)13-12(17)5-4-11(16)14(13)18/h4-5,10H,2-3,6-9,19H2,1H3
InChIKeyWWGLDGNYDOCISA-UHFFFAOYSA-N
XLogP4.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.87
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

1-(4-bromo-3-chloro-2-fluorophenyl)-4-propylcycloheptan-1-amine
CID 106761658
1-(3-bromo-2,6-difluorophenyl)-3,3-dimethylcyclopentan-1-amine
CID 106941617
1-(2,3,6-trifluorophenyl)cyclopropan-1-amine
CID 83412567
1-(3-bromo-2-fluorophenyl)-3-ethylcyclopentan-1-amine
CID 106644684
1-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63407677
1-[(3-bromo-4-fluorophenyl)methyl]-4-propylcycloheptan-1-amine
CID 65086350
1-(3-bromo-2,6-difluorophenyl)-4-(propylamino)cyclohexan-1-ol
CID 106943803
1-[(4-chloro-2-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 114853406
1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentan-1-amine
CID 84809683
1-(3-bromo-6-fluoro-2-methylphenyl)cyclopentan-1-amine
CID 84809682
1-(3-fluoro-4-methoxyphenyl)-4-propylcycloheptan-1-amine
CID 65086410
1-(5-chloro-2-methoxyphenyl)-4-propylcyclohexan-1-amine
CID 63407297

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexan-1-amine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexan-1-amine (CID 106941547) is 1-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexan-1-amine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexan-1-amine is CCCC1CCC(N)(c2c(F)ccc(Br)c2F)CC1.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexan-1-amine?
The InChIKey is WWGLDGNYDOCISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF2N/c1-2-3-10-6-8-15(19,9-7-10)13-12(17)5-4-11(16)14(13)18/h4-5,10H,2-3,6-9,19H2,1H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexan-1-amine?
1-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexan-1-amine has a molecular weight of 332.23 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 106941547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).