N-[(2-bromo-3,4-difluorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine

C17H24BrF2N — CID 107539192

IUPACN-[(2-bromo-3,4-difluorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(F)c1Br)C1CCC(CC)CC1
InChIInChI=1S/C17H24BrF2N/c1-3-11-5-7-12(8-6-11)17(21-4-2)13-9-10-14(19)16(20)15(13)18/h9-12,17,21H,3-8H2,1-2H3
InChIKeyHPAUNTFPFLUCQV-UHFFFAOYSA-N
MW360.29 g/mol
LogP5.59
Rot. Bonds5

About N-[(2-bromo-3,4-difluorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine

N-[(2-bromo-3,4-difluorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine (PubChem CID 107539192) has the molecular formula C17H24BrF2N and a molecular weight of 360.29 g/mol. Its IUPAC name is N-[(2-bromo-3,4-difluorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-3,4-difluorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine
PubChem CID107539192
Molecular FormulaC17H24BrF2N
Molecular Weight360.29 g/mol
Exact Mass359.11
IUPAC NameN-[(2-bromo-3,4-difluorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(F)c1Br)C1CCC(CC)CC1
InChIInChI=1S/C17H24BrF2N/c1-3-11-5-7-12(8-6-11)17(21-4-2)13-9-10-14(19)16(20)15(13)18/h9-12,17,21H,3-8H2,1-2H3
InChIKeyHPAUNTFPFLUCQV-UHFFFAOYSA-N
XLogP5.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.29
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-[(2-bromo-3,4-difluorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine 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-[(2-bromo-3,4-difluorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 107539188
N-[(2-bromo-3,4-difluorophenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
CID 107539367
N-[(2,4-dichlorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine
CID 104990929
N-[(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 63415395
N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62791719
[1-(2-bromo-3,4-difluorophenyl)-2-cyclopropylethyl]hydrazine
CID 107541167
N-[(2,3-difluoro-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 107513270
1-(2-bromo-3,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine
CID 107539161
1-(2-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 104991067
N-[(3-ethylcyclopentyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 113447257
3-cyclopropyl-N-ethyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 104994836
N-[(4-bromonaphthalen-1-yl)-cyclopropylmethyl]ethanamine
CID 79596933

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-3,4-difluorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-3,4-difluorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine (CID 107539192) is N-[(2-bromo-3,4-difluorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-3,4-difluorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-3,4-difluorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine is CCNC(c1ccc(F)c(F)c1Br)C1CCC(CC)CC1.
What is the InChIKey of N-[(2-bromo-3,4-difluorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine?
The InChIKey is HPAUNTFPFLUCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrF2N/c1-3-11-5-7-12(8-6-11)17(21-4-2)13-9-10-14(19)16(20)15(13)18/h9-12,17,21H,3-8H2,1-2H3.
What are the key properties of N-[(2-bromo-3,4-difluorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine?
N-[(2-bromo-3,4-difluorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine has a molecular weight of 360.29 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-3,4-difluorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 107539192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).