1-(2-chloro-3-fluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine

C14H19ClFN — CID 114108020

IUPAC1-(2-chloro-3-fluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine
SMILESCCC1(CNCc2cccc(F)c2Cl)CCC1
InChIInChI=1S/C14H19ClFN/c1-2-14(7-4-8-14)10-17-9-11-5-3-6-12(16)13(11)15/h3,5-6,17H,2,4,7-10H2,1H3
InChIKeyRHEGPCNVGHVJAA-UHFFFAOYSA-N
MW255.76 g/mol
LogP4.15
Rot. Bonds5

About 1-(2-chloro-3-fluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine

1-(2-chloro-3-fluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine (PubChem CID 114108020) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine
PubChem CID114108020
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name1-(2-chloro-3-fluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine
SMILESCCC1(CNCc2cccc(F)c2Cl)CCC1
InChIInChI=1S/C14H19ClFN/c1-2-14(7-4-8-14)10-17-9-11-5-3-6-12(16)13(11)15/h3,5-6,17H,2,4,7-10H2,1H3
InChIKeyRHEGPCNVGHVJAA-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-fluorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 115696036
1-(2-chloro-3-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 112652185
3-[[(1-ethylcyclobutyl)methylamino]methyl]benzene-1,2-diol
CID 103953663
1-(4-chloro-2-fluorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 102609714
N-[(1-ethylcyclobutyl)methyl]-1-(2-fluoro-5-methylphenyl)methanamine
CID 114107436
4-[[(2-chloro-3-fluorophenyl)methylamino]methyl]oxan-4-ol
CID 112652187
1-(2-chloro-3,4-dimethoxyphenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine
CID 103741168
N-[(1-ethylcyclobutyl)methyl]-1-(2-methyl-3-pyridinyl)methanamine
CID 115684507
N-[(1-ethylcyclobutyl)methyl]-1-(1H-indol-4-yl)methanamine
CID 113252690
2-[[(1-ethylcyclobutyl)methylamino]methyl]-6-methoxyphenol
CID 103741124
N-[(2-chloro-3-fluorophenyl)methyl]-2-(chloromethyl)-2-ethylbutan-1-amine
CID 106252455
2-[[(1-ethylcyclopentyl)methylamino]methyl]-4-fluorophenol
CID 103949020

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine (CID 114108020) is 1-(2-chloro-3-fluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine is CCC1(CNCc2cccc(F)c2Cl)CCC1.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine?
The InChIKey is RHEGPCNVGHVJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-2-14(7-4-8-14)10-17-9-11-5-3-6-12(16)13(11)15/h3,5-6,17H,2,4,7-10H2,1H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine?
1-(2-chloro-3-fluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine has a molecular weight of 255.76 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine is sourced from PubChem (CID 114108020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).