N-(2-bromoethyl)-N-[(5-fluoro-2-methylphenyl)methyl]cyclobutanamine

C14H19BrFN — CID 102860764

IUPACN-(2-bromoethyl)-N-[(5-fluoro-2-methylphenyl)methyl]cyclobutanamine
SMILESCc1ccc(F)cc1CN(CCBr)C1CCC1
InChIInChI=1S/C14H19BrFN/c1-11-5-6-13(16)9-12(11)10-17(8-7-15)14-3-2-4-14/h5-6,9,14H,2-4,7-8,10H2,1H3
InChIKeySRIBTTMOWGPJTL-UHFFFAOYSA-N
MW300.21 g/mol
LogP3.88
Rot. Bonds5

About N-(2-bromoethyl)-N-[(5-fluoro-2-methylphenyl)methyl]cyclobutanamine

N-(2-bromoethyl)-N-[(5-fluoro-2-methylphenyl)methyl]cyclobutanamine (PubChem CID 102860764) has the molecular formula C14H19BrFN and a molecular weight of 300.21 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-[(5-fluoro-2-methylphenyl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-[(5-fluoro-2-methylphenyl)methyl]cyclobutanamine
PubChem CID102860764
Molecular FormulaC14H19BrFN
Molecular Weight300.21 g/mol
Exact Mass299.07
IUPAC NameN-(2-bromoethyl)-N-[(5-fluoro-2-methylphenyl)methyl]cyclobutanamine
SMILESCc1ccc(F)cc1CN(CCBr)C1CCC1
InChIInChI=1S/C14H19BrFN/c1-11-5-6-13(16)9-12(11)10-17(8-7-15)14-3-2-4-14/h5-6,9,14H,2-4,7-8,10H2,1H3
InChIKeySRIBTTMOWGPJTL-UHFFFAOYSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-[(2,5-difluorophenyl)methyl]cyclopentanamine
CID 80672624
N-(2-bromoethyl)-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexanamine
CID 102620191
N-(2-bromoethyl)-N-[(2-chloro-4-fluorophenyl)methyl]cyclobutanamine
CID 102860916
N-(2-bromoethyl)-N-[(3-fluorophenyl)methyl]cyclobutanamine
CID 102860788
N-(2-bromoethyl)-N-[(5-bromo-2-fluorophenyl)methyl]cyclopentanamine
CID 80672620
N-(3-bromopropyl)-N-[(2-chloro-4-fluorophenyl)methyl]cyclobutanamine
CID 102860157
N-(2-bromoethyl)-N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
CID 106869935
2-[cyclobutyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol
CID 102676925
N-[(5-fluoro-2-methylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599700
N-[(5-fluoro-2-methylphenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 105372550
N-(2-bromoethyl)-N-[(5-chloro-2-fluorophenyl)methyl]cyclopropanamine
CID 103050016
N-(2-bromoethyl)-2,2-difluoro-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 107487525

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-[(5-fluoro-2-methylphenyl)methyl]cyclobutanamine?
The IUPAC name of N-(2-bromoethyl)-N-[(5-fluoro-2-methylphenyl)methyl]cyclobutanamine (CID 102860764) is N-(2-bromoethyl)-N-[(5-fluoro-2-methylphenyl)methyl]cyclobutanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-[(5-fluoro-2-methylphenyl)methyl]cyclobutanamine?
The canonical SMILES for N-(2-bromoethyl)-N-[(5-fluoro-2-methylphenyl)methyl]cyclobutanamine is Cc1ccc(F)cc1CN(CCBr)C1CCC1.
What is the InChIKey of N-(2-bromoethyl)-N-[(5-fluoro-2-methylphenyl)methyl]cyclobutanamine?
The InChIKey is SRIBTTMOWGPJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-11-5-6-13(16)9-12(11)10-17(8-7-15)14-3-2-4-14/h5-6,9,14H,2-4,7-8,10H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-[(5-fluoro-2-methylphenyl)methyl]cyclobutanamine?
N-(2-bromoethyl)-N-[(5-fluoro-2-methylphenyl)methyl]cyclobutanamine has a molecular weight of 300.21 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-[(5-fluoro-2-methylphenyl)methyl]cyclobutanamine is sourced from PubChem (CID 102860764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).