N-[(1-ethylcyclobutyl)methyl]-1-(2-fluoro-5-methylphenyl)methanamine

C15H22FN — CID 114107436

IUPACN-[(1-ethylcyclobutyl)methyl]-1-(2-fluoro-5-methylphenyl)methanamine
SMILESCCC1(CNCc2cc(C)ccc2F)CCC1
InChIInChI=1S/C15H22FN/c1-3-15(7-4-8-15)11-17-10-13-9-12(2)5-6-14(13)16/h5-6,9,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyCUKADBRKARLSKQ-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.80
Rot. Bonds5

About N-[(1-ethylcyclobutyl)methyl]-1-(2-fluoro-5-methylphenyl)methanamine

N-[(1-ethylcyclobutyl)methyl]-1-(2-fluoro-5-methylphenyl)methanamine (PubChem CID 114107436) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[(1-ethylcyclobutyl)methyl]-1-(2-fluoro-5-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylcyclobutyl)methyl]-1-(2-fluoro-5-methylphenyl)methanamine
PubChem CID114107436
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-[(1-ethylcyclobutyl)methyl]-1-(2-fluoro-5-methylphenyl)methanamine
SMILESCCC1(CNCc2cc(C)ccc2F)CCC1
InChIInChI=1S/C15H22FN/c1-3-15(7-4-8-15)11-17-10-13-9-12(2)5-6-14(13)16/h5-6,9,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyCUKADBRKARLSKQ-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
1-(4-chloro-2-fluorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 102609714
1-(2-fluoro-5-methylphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 113253102
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(5-chloro-2-fluorophenyl)methanamine
CID 115245810
N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 61033992
1-(2-chloro-3-fluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine
CID 114108020
1-(2,5-dimethylphenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine
CID 115246164
N-[(1-ethylcyclopropyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115968246
2-[[(1-ethylcyclopentyl)methylamino]methyl]-4-fluorophenol
CID 103949020
1-(3-bromo-4-fluorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine
CID 114124598
N-[(2-fluoro-5-methylphenyl)methyl]pentan-1-amine
CID 115632172
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(2,5-difluorophenyl)methanamine
CID 114757613

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclobutyl)methyl]-1-(2-fluoro-5-methylphenyl)methanamine?
The IUPAC name of N-[(1-ethylcyclobutyl)methyl]-1-(2-fluoro-5-methylphenyl)methanamine (CID 114107436) is N-[(1-ethylcyclobutyl)methyl]-1-(2-fluoro-5-methylphenyl)methanamine.
What is the SMILES notation for N-[(1-ethylcyclobutyl)methyl]-1-(2-fluoro-5-methylphenyl)methanamine?
The canonical SMILES for N-[(1-ethylcyclobutyl)methyl]-1-(2-fluoro-5-methylphenyl)methanamine is CCC1(CNCc2cc(C)ccc2F)CCC1.
What is the InChIKey of N-[(1-ethylcyclobutyl)methyl]-1-(2-fluoro-5-methylphenyl)methanamine?
The InChIKey is CUKADBRKARLSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-3-15(7-4-8-15)11-17-10-13-9-12(2)5-6-14(13)16/h5-6,9,17H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of N-[(1-ethylcyclobutyl)methyl]-1-(2-fluoro-5-methylphenyl)methanamine?
N-[(1-ethylcyclobutyl)methyl]-1-(2-fluoro-5-methylphenyl)methanamine has a molecular weight of 235.35 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclobutyl)methyl]-1-(2-fluoro-5-methylphenyl)methanamine is sourced from PubChem (CID 114107436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).