N-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine

C16H23BrFN — CID 63452721

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCc2cc(F)ccc2Br)CC1
InChIInChI=1S/C16H23BrFN/c1-2-3-12-4-7-15(8-5-12)19-11-13-10-14(18)6-9-16(13)17/h6,9-10,12,15,19H,2-5,7-8,11H2,1H3
InChIKeyMBRUIOIPUWMTER-UHFFFAOYSA-N
MW328.27 g/mol
LogP5.04
Rot. Bonds5

About N-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine

N-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine (PubChem CID 63452721) has the molecular formula C16H23BrFN and a molecular weight of 328.27 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
PubChem CID63452721
Molecular FormulaC16H23BrFN
Molecular Weight328.27 g/mol
Exact Mass327.10
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCc2cc(F)ccc2Br)CC1
InChIInChI=1S/C16H23BrFN/c1-2-3-12-4-7-15(8-5-12)19-11-13-10-14(18)6-9-16(13)17/h6,9-10,12,15,19H,2-5,7-8,11H2,1H3
InChIKeyMBRUIOIPUWMTER-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.27
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-5-fluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64746999
4-[(2-bromo-5-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60810202
N-[(2-bromo-5-fluorophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine
CID 103866090
N-[(2-bromo-5-fluorophenyl)methyl]cyclopent-3-en-1-amine
CID 115777600
N-[(2-bromo-5-fluorophenyl)methyl]spiro[4.5]decan-8-amine
CID 114817509
1-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63407677
N-[(3-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 114452769
3-bromo-4-[[(4-propylcyclohexyl)amino]methyl]benzoic acid
CID 103245649
N-[(4-chloro-3-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63454462
4-[(2-bromo-5-fluorophenyl)methylamino]piperidine-1-carboxamide
CID 54902697
N-[(3-bromo-4-methylphenyl)methyl]-4-propylcyclohexan-1-amine
CID 105401447
N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115713126

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine (CID 63452721) is N-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine is CCCC1CCC(NCc2cc(F)ccc2Br)CC1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine?
The InChIKey is MBRUIOIPUWMTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFN/c1-2-3-12-4-7-15(8-5-12)19-11-13-10-14(18)6-9-16(13)17/h6,9-10,12,15,19H,2-5,7-8,11H2,1H3.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine?
N-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine has a molecular weight of 328.27 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 63452721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).