N-(1-cyclopropylethyl)-2-(3-fluorophenyl)propan-2-amine

C14H20FN — CID 115677202

IUPACN-(1-cyclopropylethyl)-2-(3-fluorophenyl)propan-2-amine
SMILESCC(NC(C)(C)c1cccc(F)c1)C1CC1
InChIInChI=1S/C14H20FN/c1-10(11-7-8-11)16-14(2,3)12-5-4-6-13(15)9-12/h4-6,9-11,16H,7-8H2,1-3H3
InChIKeyRBGRANQLZNNQKO-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.45
Rot. Bonds4

About N-(1-cyclopropylethyl)-2-(3-fluorophenyl)propan-2-amine

N-(1-cyclopropylethyl)-2-(3-fluorophenyl)propan-2-amine (PubChem CID 115677202) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-(3-fluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-(3-fluorophenyl)propan-2-amine
PubChem CID115677202
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-(1-cyclopropylethyl)-2-(3-fluorophenyl)propan-2-amine
SMILESCC(NC(C)(C)c1cccc(F)c1)C1CC1
InChIInChI=1S/C14H20FN/c1-10(11-7-8-11)16-14(2,3)12-5-4-6-13(15)9-12/h4-6,9-11,16H,7-8H2,1-3H3
InChIKeyRBGRANQLZNNQKO-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3-fluorophenyl)propan-2-yl]cyclopentanamine
CID 115901868
N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpropanamide
CID 110470332
(2S)-2-amino-N-[2-(3-fluorophenyl)propan-2-yl]propanamide
CID 119330298
2-cyclopropyl-2-(3-fluorophenyl)propanoic acid
CID 83834060
2-[2-(3-fluorophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976301
N-(1-cyclopropylethyl)-2,6-difluoroaniline
CID 43123985
1-(3-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424185
methyl (2R)-2-cyclopentyl-2-(3-fluorophenyl)propanoate
CID 129395594
N-ethyl-1,1-difluoro-2-(3-fluorophenyl)propan-2-amine
CID 80604450
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(3-fluorophenyl)ethanol
CID 79125136
1-bromo-1-(3-fluorophenyl)ethanol
CID 143635660
1-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 115708476

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-(3-fluorophenyl)propan-2-amine?
The IUPAC name of N-(1-cyclopropylethyl)-2-(3-fluorophenyl)propan-2-amine (CID 115677202) is N-(1-cyclopropylethyl)-2-(3-fluorophenyl)propan-2-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-(3-fluorophenyl)propan-2-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-2-(3-fluorophenyl)propan-2-amine is CC(NC(C)(C)c1cccc(F)c1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-(3-fluorophenyl)propan-2-amine?
The InChIKey is RBGRANQLZNNQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-10(11-7-8-11)16-14(2,3)12-5-4-6-13(15)9-12/h4-6,9-11,16H,7-8H2,1-3H3.
What are the key properties of N-(1-cyclopropylethyl)-2-(3-fluorophenyl)propan-2-amine?
N-(1-cyclopropylethyl)-2-(3-fluorophenyl)propan-2-amine has a molecular weight of 221.32 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-(3-fluorophenyl)propan-2-amine is sourced from PubChem (CID 115677202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).