N-[[1-[(4-fluoro-2-methylphenyl)methyl]cyclopropyl]methyl]ethanamine

C14H20FN — CID 114348910

IUPACN-[[1-[(4-fluoro-2-methylphenyl)methyl]cyclopropyl]methyl]ethanamine
SMILESCCNCC1(Cc2ccc(F)cc2C)CC1
InChIInChI=1S/C14H20FN/c1-3-16-10-14(6-7-14)9-12-4-5-13(15)8-11(12)2/h4-5,8,16H,3,6-7,9-10H2,1-2H3
InChIKeyBHWAWXMDXGVFGQ-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.07
Rot. Bonds5

About N-[[1-[(4-fluoro-2-methylphenyl)methyl]cyclopropyl]methyl]ethanamine

N-[[1-[(4-fluoro-2-methylphenyl)methyl]cyclopropyl]methyl]ethanamine (PubChem CID 114348910) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[[1-[(4-fluoro-2-methylphenyl)methyl]cyclopropyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(4-fluoro-2-methylphenyl)methyl]cyclopropyl]methyl]ethanamine
PubChem CID114348910
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-[[1-[(4-fluoro-2-methylphenyl)methyl]cyclopropyl]methyl]ethanamine
SMILESCCNCC1(Cc2ccc(F)cc2C)CC1
InChIInChI=1S/C14H20FN/c1-3-16-10-14(6-7-14)9-12-4-5-13(15)8-11(12)2/h4-5,8,16H,3,6-7,9-10H2,1-2H3
InChIKeyBHWAWXMDXGVFGQ-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194197
N-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194817
[1-[(4-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 114349742
N-[[3-[(4-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyethanamine
CID 114348893
N-[(1-ethylcyclopropyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115968246
N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 105374909
[1-[[(4-fluoro-2-methylphenyl)methylamino]methyl]cyclohexyl]methanol
CID 112697662
N-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66026264
ethane;1-ethyl-4-fluoro-2-methylbenzene
CID 143471886
N-[[1-[(3-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194315
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]methyl]ethanamine
CID 113453870
[1-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]cyclohexyl]methanol
CID 81418469

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluoro-2-methylphenyl)methyl]cyclopropyl]methyl]ethanamine?
The IUPAC name of N-[[1-[(4-fluoro-2-methylphenyl)methyl]cyclopropyl]methyl]ethanamine (CID 114348910) is N-[[1-[(4-fluoro-2-methylphenyl)methyl]cyclopropyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(4-fluoro-2-methylphenyl)methyl]cyclopropyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(4-fluoro-2-methylphenyl)methyl]cyclopropyl]methyl]ethanamine is CCNCC1(Cc2ccc(F)cc2C)CC1.
What is the InChIKey of N-[[1-[(4-fluoro-2-methylphenyl)methyl]cyclopropyl]methyl]ethanamine?
The InChIKey is BHWAWXMDXGVFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-3-16-10-14(6-7-14)9-12-4-5-13(15)8-11(12)2/h4-5,8,16H,3,6-7,9-10H2,1-2H3.
What are the key properties of N-[[1-[(4-fluoro-2-methylphenyl)methyl]cyclopropyl]methyl]ethanamine?
N-[[1-[(4-fluoro-2-methylphenyl)methyl]cyclopropyl]methyl]ethanamine has a molecular weight of 221.32 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluoro-2-methylphenyl)methyl]cyclopropyl]methyl]ethanamine is sourced from PubChem (CID 114348910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).