N-[(3-bromo-2-fluorophenyl)-cycloheptylmethyl]ethanamine

C16H23BrFN — CID 106645693

IUPACN-[(3-bromo-2-fluorophenyl)-cycloheptylmethyl]ethanamine
SMILESCCNC(c1cccc(Br)c1F)C1CCCCCC1
InChIInChI=1S/C16H23BrFN/c1-2-19-16(12-8-5-3-4-6-9-12)13-10-7-11-14(17)15(13)18/h7,10-12,16,19H,2-6,8-9H2,1H3
InChIKeyRBNCLADIYZHXCD-UHFFFAOYSA-N
MW328.27 g/mol
LogP5.21
Rot. Bonds4

About N-[(3-bromo-2-fluorophenyl)-cycloheptylmethyl]ethanamine

N-[(3-bromo-2-fluorophenyl)-cycloheptylmethyl]ethanamine (PubChem CID 106645693) has the molecular formula C16H23BrFN and a molecular weight of 328.27 g/mol. Its IUPAC name is N-[(3-bromo-2-fluorophenyl)-cycloheptylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-2-fluorophenyl)-cycloheptylmethyl]ethanamine
PubChem CID106645693
Molecular FormulaC16H23BrFN
Molecular Weight328.27 g/mol
Exact Mass327.10
IUPAC NameN-[(3-bromo-2-fluorophenyl)-cycloheptylmethyl]ethanamine
SMILESCCNC(c1cccc(Br)c1F)C1CCCCCC1
InChIInChI=1S/C16H23BrFN/c1-2-19-16(12-8-5-3-4-6-9-12)13-10-7-11-14(17)15(13)18/h7,10-12,16,19H,2-6,8-9H2,1H3
InChIKeyRBNCLADIYZHXCD-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.27
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3-bromo-2-fluorophenyl)-cycloheptylmethyl]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-[(3-chloro-2-fluorophenyl)-cyclohexylmethyl]ethanamine
CID 64712638
1-(3-bromo-2-fluorophenyl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine
CID 106646184
N-[(3-bromo-2-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 107953361
N-[(2-bromo-6-fluorophenyl)-cyclobutylmethyl]ethanamine
CID 114887135
N-[(3-bromo-2-methylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114981055
N-[(4-bromo-5-chloro-2-fluorophenyl)-cyclooctylmethyl]ethanamine
CID 105398992
N-[1-(3-bromo-2-fluorophenyl)-2-cycloheptylethyl]propan-1-amine
CID 106647563
N-[cyclopentyl(naphthalen-1-yl)methyl]ethanamine
CID 55187374
N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]ethanamine
CID 105027710
N-[(2-tert-butylphenyl)-cyclopentylmethyl]ethanamine
CID 115778732
N-[(3-bromo-4-fluorophenyl)-cyclohexylmethyl]ethanamine
CID 79747514
1-(3-bromo-2-fluorophenyl)-2-cycloheptyl-N-methylethanamine
CID 106647929

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-fluorophenyl)-cycloheptylmethyl]ethanamine?
The IUPAC name of N-[(3-bromo-2-fluorophenyl)-cycloheptylmethyl]ethanamine (CID 106645693) is N-[(3-bromo-2-fluorophenyl)-cycloheptylmethyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-2-fluorophenyl)-cycloheptylmethyl]ethanamine?
The canonical SMILES for N-[(3-bromo-2-fluorophenyl)-cycloheptylmethyl]ethanamine is CCNC(c1cccc(Br)c1F)C1CCCCCC1.
What is the InChIKey of N-[(3-bromo-2-fluorophenyl)-cycloheptylmethyl]ethanamine?
The InChIKey is RBNCLADIYZHXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFN/c1-2-19-16(12-8-5-3-4-6-9-12)13-10-7-11-14(17)15(13)18/h7,10-12,16,19H,2-6,8-9H2,1H3.
What are the key properties of N-[(3-bromo-2-fluorophenyl)-cycloheptylmethyl]ethanamine?
N-[(3-bromo-2-fluorophenyl)-cycloheptylmethyl]ethanamine has a molecular weight of 328.27 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-fluorophenyl)-cycloheptylmethyl]ethanamine is sourced from PubChem (CID 106645693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).