N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine

C15H23FN2 — CID 29080194

IUPACN-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine
SMILESCCCN[C@H](C)c1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C15H23FN2/c1-3-8-17-12(2)13-6-7-15(14(16)11-13)18-9-4-5-10-18/h6-7,11-12,17H,3-5,8-10H2,1-2H3/t12-/m1/s1
InChIKeyQWZSRGHBFGZFTP-GFCCVEGCSA-N
MW250.36 g/mol
LogP3.49
Rot. Bonds5

About N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine

N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine (PubChem CID 29080194) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine
PubChem CID29080194
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine
SMILESCCCN[C@H](C)c1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C15H23FN2/c1-3-8-17-12(2)13-6-7-15(14(16)11-13)18-9-4-5-10-18/h6-7,11-12,17H,3-5,8-10H2,1-2H3/t12-/m1/s1
InChIKeyQWZSRGHBFGZFTP-GFCCVEGCSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine (CID 29080194) is N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine is CCCN[C@H](C)c1ccc(N2CCCC2)c(F)c1.
What is the InChIKey of N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine?
The InChIKey is QWZSRGHBFGZFTP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-8-17-12(2)13-6-7-15(14(16)11-13)18-9-4-5-10-18/h6-7,11-12,17H,3-5,8-10H2,1-2H3/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine?
N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine has a molecular weight of 250.36 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 29080194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).