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

C17H27FN2 — CID 29064023

IUPACN-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]pentan-1-amine
SMILESCCCCCN[C@H](C)c1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C17H27FN2/c1-3-4-5-10-19-14(2)15-8-9-17(16(18)13-15)20-11-6-7-12-20/h8-9,13-14,19H,3-7,10-12H2,1-2H3/t14-/m1/s1
InChIKeyZMXQUJBRXWSYTN-CQSZACIVSA-N
MW278.42 g/mol
LogP4.27
Rot. Bonds7

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

N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]pentan-1-amine (PubChem CID 29064023) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]pentan-1-amine
PubChem CID29064023
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC NameN-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]pentan-1-amine
SMILESCCCCCN[C@H](C)c1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C17H27FN2/c1-3-4-5-10-19-14(2)15-8-9-17(16(18)13-15)20-11-6-7-12-20/h8-9,13-14,19H,3-7,10-12H2,1-2H3/t14-/m1/s1
InChIKeyZMXQUJBRXWSYTN-CQSZACIVSA-N
XLogP4.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine
CID 29080194
N-[(1S)-1-[4-(azepan-1-yl)-3-fluorophenyl]ethyl]propan-1-amine
CID 29080205
N-[(1S)-1-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-3-methylbutan-1-amine
CID 28963934
N-[1-(3,4-difluorophenyl)ethyl]pentan-1-amine
CID 43177678
N-[1-[3-fluoro-4-(3-methylpiperidin-1-yl)phenyl]ethyl]propan-1-amine
CID 43284028
1-[4-(4,4-dimethylazepan-1-yl)-3-fluorophenyl]-N-ethylethanamine
CID 65281352
N-[(1S)-1-[4-(azepan-1-yl)-3-fluorophenyl]ethyl]propan-2-amine
CID 29037241
N-ethyl-1-[3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]ethanamine
CID 43284437
1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]pyrrolidine-3,4-diol
CID 106669966
N-ethyl-1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]ethanamine
CID 62974667
N-[1-[4-(3,6-dihydro-2H-pyridin-1-yl)-3-fluorophenyl]ethyl]propan-1-amine
CID 114410288
N-[1-(3-chloro-4-piperidin-1-ylphenyl)ethyl]propan-1-amine
CID 62908479

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]pentan-1-amine?
The IUPAC name of N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]pentan-1-amine (CID 29064023) is N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]pentan-1-amine.
What is the SMILES notation for N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]pentan-1-amine?
The canonical SMILES for N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]pentan-1-amine is CCCCCN[C@H](C)c1ccc(N2CCCC2)c(F)c1.
What is the InChIKey of N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]pentan-1-amine?
The InChIKey is ZMXQUJBRXWSYTN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27FN2/c1-3-4-5-10-19-14(2)15-8-9-17(16(18)13-15)20-11-6-7-12-20/h8-9,13-14,19H,3-7,10-12H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]pentan-1-amine?
N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]pentan-1-amine has a molecular weight of 278.42 g/mol, XLogP of 4.27, 7 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]pentan-1-amine is sourced from PubChem (CID 29064023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).