N-[[2-[(4-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine

C14H19ClFN — CID 114862675

IUPACN-[[2-[(4-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
SMILESCCNCC1CCC1Cc1ccc(Cl)cc1F
InChIInChI=1S/C14H19ClFN/c1-2-17-9-12-4-3-10(12)7-11-5-6-13(15)8-14(11)16/h5-6,8,10,12,17H,2-4,7,9H2,1H3
InChIKeyIHEJMCSOTMTISU-UHFFFAOYSA-N
MW255.76 g/mol
LogP3.66
Rot. Bonds5

About N-[[2-[(4-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine

N-[[2-[(4-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine (PubChem CID 114862675) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is N-[[2-[(4-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(4-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
PubChem CID114862675
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC NameN-[[2-[(4-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
SMILESCCNCC1CCC1Cc1ccc(Cl)cc1F
InChIInChI=1S/C14H19ClFN/c1-2-17-9-12-4-3-10(12)7-11-5-6-13(15)8-14(11)16/h5-6,8,10,12,17H,2-4,7,9H2,1H3
InChIKeyIHEJMCSOTMTISU-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-[(4-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
CID 114862740
N-[[2-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017187
N-[[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017504
N-[[2-[(2,4-dichlorophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 81028134
N-[[2-[(4-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]ethanamine
CID 81033024
N-[[2-[(5-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 103051816
N-[[2-[(3-chloro-4-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine
CID 103042344
N-[[2-[(2-chloro-3-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine
CID 115984723
1-[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 81017170
1-[2-[(2,4-difluorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016867
4-[(4-chloro-2-fluorophenyl)methyl]-N-ethylthiolan-3-amine
CID 114850813
N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 114842672

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(4-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine (CID 114862675) is N-[[2-[(4-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(4-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(4-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine is CCNCC1CCC1Cc1ccc(Cl)cc1F.
What is the InChIKey of N-[[2-[(4-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine?
The InChIKey is IHEJMCSOTMTISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-2-17-9-12-4-3-10(12)7-11-5-6-13(15)8-14(11)16/h5-6,8,10,12,17H,2-4,7,9H2,1H3.
What are the key properties of N-[[2-[(4-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine?
N-[[2-[(4-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine has a molecular weight of 255.76 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine is sourced from PubChem (CID 114862675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).