N-[[2-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]ethanamine

C14H19F2N — CID 81017187

IUPACN-[[2-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]ethanamine
SMILESCCNCC1CCC1Cc1ccc(F)cc1F
InChIInChI=1S/C14H19F2N/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
InChIKeyQRMJDNKHZIHBBX-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.14
Rot. Bonds5

About N-[[2-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]ethanamine

N-[[2-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]ethanamine (PubChem CID 81017187) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is N-[[2-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]ethanamine
PubChem CID81017187
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-[[2-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]ethanamine
SMILESCCNCC1CCC1Cc1ccc(F)cc1F
InChIInChI=1S/C14H19F2N/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
InChIKeyQRMJDNKHZIHBBX-UHFFFAOYSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-[(4-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 114862675
1-[2-[(2,4-difluorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016867
N-[[2-[(4-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]ethanamine
CID 81033024
N-[[2-[(2,4-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81033071
N-[[2-[(4-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
CID 114862740
N-[[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017504
1-[(3-chloro-2-methylcyclopentyl)methyl]-2,4-difluorobenzene
CID 64908376
N-[[2-[(2,4-dichlorophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 81028134
N-[[2-[(2-chloro-5-fluorophenyl)methyl]-4,4-dimethylcyclohexyl]methyl]ethanamine
CID 102621866
N-[[2-[(2-methylphenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017088
N-[[2-[(2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81018226
N-[[2-[(2-chloro-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028015

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]ethanamine (CID 81017187) is N-[[2-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]ethanamine is CCNCC1CCC1Cc1ccc(F)cc1F.
What is the InChIKey of N-[[2-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]ethanamine?
The InChIKey is QRMJDNKHZIHBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/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-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]ethanamine?
N-[[2-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]ethanamine has a molecular weight of 239.31 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]ethanamine is sourced from PubChem (CID 81017187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).