[1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine

C17H24BrF2N — CID 106273588

IUPAC[1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)(Cc2c(F)ccc(Br)c2F)CC1
InChIInChI=1S/C17H24BrF2N/c1-11(2)12-5-7-17(10-21,8-6-12)9-13-15(19)4-3-14(18)16(13)20/h3-4,11-12H,5-10,21H2,1-2H3
InChIKeyMEKIBMPMWRVSNG-UHFFFAOYSA-N
MW360.29 g/mol
LogP5.06
Rot. Bonds4

About [1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine

[1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 106273588) has the molecular formula C17H24BrF2N and a molecular weight of 360.29 g/mol. Its IUPAC name is [1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine
PubChem CID106273588
Molecular FormulaC17H24BrF2N
Molecular Weight360.29 g/mol
Exact Mass359.11
IUPAC Name[1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)(Cc2c(F)ccc(Br)c2F)CC1
InChIInChI=1S/C17H24BrF2N/c1-11(2)12-5-7-17(10-21,8-6-12)9-13-15(19)4-3-14(18)16(13)20/h3-4,11-12H,5-10,21H2,1-2H3
InChIKeyMEKIBMPMWRVSNG-UHFFFAOYSA-N
XLogP5.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.29
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylcyclohexyl]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

N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 106271623
1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylpiperidine
CID 114166432
[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methanol
CID 106273685
1-(3-bromo-2,6-difluorophenyl)-4-propan-2-ylcyclohexan-1-ol
CID 106941217
1-[(3-bromo-2,6-difluorophenyl)methyl]-4-tert-butylcyclohexan-1-amine
CID 106265793
4-amino-1-[(3-bromo-2,6-difluorophenyl)methyl]cyclohexan-1-ol
CID 106265494
N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methyl]ethanamine
CID 106271392
N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 106271386
[1-[(2,6-difluorophenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 114934762
1-[1-(aminomethyl)cyclohexyl]-3-(3-bromo-2,6-difluorophenyl)propan-2-one
CID 106272814
[1-[2-(4-bromophenoxy)ethyl]-4-propan-2-ylcyclohexyl]methanamine
CID 65423148
4-(3-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine
CID 106273281

Frequently Asked Questions

What is the IUPAC name of [1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine (CID 106273588) is [1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine is CC(C)C1CCC(CN)(Cc2c(F)ccc(Br)c2F)CC1.
What is the InChIKey of [1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is MEKIBMPMWRVSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrF2N/c1-11(2)12-5-7-17(10-21,8-6-12)9-13-15(19)4-3-14(18)16(13)20/h3-4,11-12H,5-10,21H2,1-2H3.
What are the key properties of [1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine?
[1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 360.29 g/mol, XLogP of 5.06, 4 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)methyl]-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 106273588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).