N-[[2-ethyl-2-(2-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine

C16H24FN — CID 112680012

IUPACN-[[2-ethyl-2-(2-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCCC1(c2ccccc2F)CC1CNCC(C)C
InChIInChI=1S/C16H24FN/c1-4-16(14-7-5-6-8-15(14)17)9-13(16)11-18-10-12(2)3/h5-8,12-13,18H,4,9-11H2,1-3H3
InChIKeyCWSIQMUNHBTILQ-UHFFFAOYSA-N
MW249.37 g/mol
LogP3.74
Rot. Bonds6

About N-[[2-ethyl-2-(2-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine

N-[[2-ethyl-2-(2-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine (PubChem CID 112680012) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-[[2-ethyl-2-(2-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-ethyl-2-(2-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
PubChem CID112680012
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-[[2-ethyl-2-(2-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCCC1(c2ccccc2F)CC1CNCC(C)C
InChIInChI=1S/C16H24FN/c1-4-16(14-7-5-6-8-15(14)17)9-13(16)11-18-10-12(2)3/h5-8,12-13,18H,4,9-11H2,1-3H3
InChIKeyCWSIQMUNHBTILQ-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(chloromethyl)-1-ethylcyclopropyl]-2-fluorobenzene
CID 112680395
N-[[2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 62714780
2-methyl-N-[[2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine
CID 62714066
2-ethyl-2-(2-fluorophenyl)cyclopropane-1-carbaldehyde
CID 105446072
N-[(2-ethyl-2-phenylcyclopropyl)methyl]propan-1-amine
CID 62708377
2-methyl-N-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)propan-1-amine
CID 62713354
2-methyl-N-[(2-methyl-2-pyridin-3-ylcyclopropyl)methyl]propan-1-amine
CID 62714424
N-[[2-ethyl-2-(4-fluorophenyl)cyclopropyl]methyl]propan-1-amine
CID 55138904
N-[[2-(2-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine
CID 62712798
1-(1,2-diethylcyclopropyl)-2,4-difluorobenzene
CID 135292727
N-[[2-(2,5-dimethylfuran-3-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine
CID 62713891
N-[[2-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81027831

Frequently Asked Questions

What is the IUPAC name of N-[[2-ethyl-2-(2-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-ethyl-2-(2-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine (CID 112680012) is N-[[2-ethyl-2-(2-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-ethyl-2-(2-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-ethyl-2-(2-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine is CCC1(c2ccccc2F)CC1CNCC(C)C.
What is the InChIKey of N-[[2-ethyl-2-(2-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine?
The InChIKey is CWSIQMUNHBTILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-4-16(14-7-5-6-8-15(14)17)9-13(16)11-18-10-12(2)3/h5-8,12-13,18H,4,9-11H2,1-3H3.
What are the key properties of N-[[2-ethyl-2-(2-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine?
N-[[2-ethyl-2-(2-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-ethyl-2-(2-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 112680012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).