2-cyclopropyl-3-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine

C15H22FN — CID 113456667

IUPAC2-cyclopropyl-3-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1ccccc1F)C1CC1
InChIInChI=1S/C15H22FN/c1-11(2)17-10-14(12-7-8-12)9-13-5-3-4-6-15(13)16/h3-6,11-12,14,17H,7-10H2,1-2H3
InChIKeyOTFYEKGQNMGDJX-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.39
Rot. Bonds6

About 2-cyclopropyl-3-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine

2-cyclopropyl-3-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine (PubChem CID 113456667) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine
PubChem CID113456667
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name2-cyclopropyl-3-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1ccccc1F)C1CC1
InChIInChI=1S/C15H22FN/c1-11(2)17-10-14(12-7-8-12)9-13-5-3-4-6-15(13)16/h3-6,11-12,14,17H,7-10H2,1-2H3
InChIKeyOTFYEKGQNMGDJX-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-cyclopentyl-N-[(2-fluorophenyl)methyl]ethanamine
CID 81394013
N-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine
CID 115607332
N-[1-cyclobutyl-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61063838
N-[(1S)-1-cycloheptylethyl]-1-(2-fluorophenyl)propan-2-amine
CID 104979808
2-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 62530233
N-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine
CID 115592320
3-(4-chloro-3-fluorophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine
CID 107897598
2-(ethoxymethyl)-3-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 103984394
1-fluoro-2-[2-methyl-3-[4-[1-[4-(2-methylpropyl)cyclohexyl]propan-2-yl]cyclohexyl]propyl]benzene
CID 167078808
N-[2-cycloheptyl-2-(2-fluorophenyl)ethyl]propan-2-amine
CID 82933173
4-ethylsulfonyl-2-[(2-fluorophenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 62514756
2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 55072069

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-cyclopropyl-3-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine (CID 113456667) is 2-cyclopropyl-3-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-cyclopropyl-3-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-cyclopropyl-3-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine is CC(C)NCC(Cc1ccccc1F)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is OTFYEKGQNMGDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-11(2)17-10-14(12-7-8-12)9-13-5-3-4-6-15(13)16/h3-6,11-12,14,17H,7-10H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine?
2-cyclopropyl-3-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 113456667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).