N-[(5-fluoro-2-methylphenyl)methyl]-2-propylcyclopropan-1-amine

C14H20FN — CID 115968233

IUPACN-[(5-fluoro-2-methylphenyl)methyl]-2-propylcyclopropan-1-amine
SMILESCCCC1CC1NCc1cc(F)ccc1C
InChIInChI=1S/C14H20FN/c1-3-4-11-8-14(11)16-9-12-7-13(15)6-5-10(12)2/h5-7,11,14,16H,3-4,8-9H2,1-2H3
InChIKeyDZLGAVRUVSAFRP-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.41
Rot. Bonds5

About N-[(5-fluoro-2-methylphenyl)methyl]-2-propylcyclopropan-1-amine

N-[(5-fluoro-2-methylphenyl)methyl]-2-propylcyclopropan-1-amine (PubChem CID 115968233) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)methyl]-2-propylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)methyl]-2-propylcyclopropan-1-amine
PubChem CID115968233
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-[(5-fluoro-2-methylphenyl)methyl]-2-propylcyclopropan-1-amine
SMILESCCCC1CC1NCc1cc(F)ccc1C
InChIInChI=1S/C14H20FN/c1-3-4-11-8-14(11)16-9-12-7-13(15)6-5-10(12)2/h5-7,11,14,16H,3-4,8-9H2,1-2H3
InChIKeyDZLGAVRUVSAFRP-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopropan-1-amine
CID 115968089
N-[(3,4-dimethylphenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711594
N-[(2-fluoro-5-methylphenyl)methyl]-2-propylcyclopropan-1-amine;hydrochloride
CID 115664737
N-[(5-fluoro-2-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115968191
N-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115968236
N-[(2-methoxyphenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711434
N-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-amine
CID 115968324
N-[(4-methylphenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711454
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]-4-methylcyclohexan-1-amine
CID 105372334
1-ethyl-N-[(5-fluoro-2-methylphenyl)methyl]piperidin-4-amine
CID 103943629
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-2-propylcyclopropan-1-amine?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-2-propylcyclopropan-1-amine (CID 115968233) is N-[(5-fluoro-2-methylphenyl)methyl]-2-propylcyclopropan-1-amine.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)methyl]-2-propylcyclopropan-1-amine?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)methyl]-2-propylcyclopropan-1-amine is CCCC1CC1NCc1cc(F)ccc1C.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)methyl]-2-propylcyclopropan-1-amine?
The InChIKey is DZLGAVRUVSAFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-3-4-11-8-14(11)16-9-12-7-13(15)6-5-10(12)2/h5-7,11,14,16H,3-4,8-9H2,1-2H3.
What are the key properties of N-[(5-fluoro-2-methylphenyl)methyl]-2-propylcyclopropan-1-amine?
N-[(5-fluoro-2-methylphenyl)methyl]-2-propylcyclopropan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylphenyl)methyl]-2-propylcyclopropan-1-amine is sourced from PubChem (CID 115968233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).