N-[[2-ethyl-2-(4-fluorophenyl)cyclopropyl]methyl]propan-1-amine

C15H22FN — CID 55138904

IUPACN-[[2-ethyl-2-(4-fluorophenyl)cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1CC1(CC)c1ccc(F)cc1
InChIInChI=1S/C15H22FN/c1-3-9-17-11-13-10-15(13,4-2)12-5-7-14(16)8-6-12/h5-8,13,17H,3-4,9-11H2,1-2H3
InChIKeyRGJJUZUWCYXBCM-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.49
Rot. Bonds6

About N-[[2-ethyl-2-(4-fluorophenyl)cyclopropyl]methyl]propan-1-amine

N-[[2-ethyl-2-(4-fluorophenyl)cyclopropyl]methyl]propan-1-amine (PubChem CID 55138904) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[[2-ethyl-2-(4-fluorophenyl)cyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-ethyl-2-(4-fluorophenyl)cyclopropyl]methyl]propan-1-amine
PubChem CID55138904
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-[[2-ethyl-2-(4-fluorophenyl)cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1CC1(CC)c1ccc(F)cc1
InChIInChI=1S/C15H22FN/c1-3-9-17-11-13-10-15(13,4-2)12-5-7-14(16)8-6-12/h5-8,13,17H,3-4,9-11H2,1-2H3
InChIKeyRGJJUZUWCYXBCM-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-ethyl-2-(4-methylphenyl)cyclopropyl]methyl]propan-1-amine
CID 55134746
N-[(2-ethyl-2-phenylcyclopropyl)methyl]propan-1-amine
CID 62708377
N-[(2-benzyl-2-phenylcyclopropyl)methyl]propan-1-amine
CID 62707852
N-[[2-(4-bromophenyl)-2-ethylcyclopropyl]methyl]-2-methoxyethanamine
CID 62713015
N-[(2-ethyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine
CID 62708367
N-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine
CID 62714260
N-[[1-(4-chlorophenyl)-2-ethylcyclopropyl]methyl]propan-1-amine
CID 113404796
(1R)-2-ethyl-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 105461613
4-fluoro-N-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]aniline
CID 62437113
1-ethyl-2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 69111923
N-[[2-ethyl-2-(2-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 112680012
N-[[2-methyl-2-(3-methylphenyl)cyclopropyl]methyl]propan-1-amine
CID 62708366

Frequently Asked Questions

What is the IUPAC name of N-[[2-ethyl-2-(4-fluorophenyl)cyclopropyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-ethyl-2-(4-fluorophenyl)cyclopropyl]methyl]propan-1-amine (CID 55138904) is N-[[2-ethyl-2-(4-fluorophenyl)cyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-ethyl-2-(4-fluorophenyl)cyclopropyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-ethyl-2-(4-fluorophenyl)cyclopropyl]methyl]propan-1-amine is CCCNCC1CC1(CC)c1ccc(F)cc1.
What is the InChIKey of N-[[2-ethyl-2-(4-fluorophenyl)cyclopropyl]methyl]propan-1-amine?
The InChIKey is RGJJUZUWCYXBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-3-9-17-11-13-10-15(13,4-2)12-5-7-14(16)8-6-12/h5-8,13,17H,3-4,9-11H2,1-2H3.
What are the key properties of N-[[2-ethyl-2-(4-fluorophenyl)cyclopropyl]methyl]propan-1-amine?
N-[[2-ethyl-2-(4-fluorophenyl)cyclopropyl]methyl]propan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.49, 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-(4-fluorophenyl)cyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 55138904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).