N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)pentan-1-amine

C18H29FN2 — CID 60856525

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)pentan-1-amine
SMILESCCCCC(NCC1CCN(CC)C1)c1ccc(F)cc1
InChIInChI=1S/C18H29FN2/c1-3-5-6-18(16-7-9-17(19)10-8-16)20-13-15-11-12-21(4-2)14-15/h7-10,15,18,20H,3-6,11-14H2,1-2H3
InChIKeyZZDCHLQUARFSES-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.99
Rot. Bonds8

About N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)pentan-1-amine

N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)pentan-1-amine (PubChem CID 60856525) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)pentan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)pentan-1-amine
PubChem CID60856525
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)pentan-1-amine
SMILESCCCCC(NCC1CCN(CC)C1)c1ccc(F)cc1
InChIInChI=1S/C18H29FN2/c1-3-5-6-18(16-7-9-17(19)10-8-16)20-13-15-11-12-21(4-2)14-15/h7-10,15,18,20H,3-6,11-14H2,1-2H3
InChIKeyZZDCHLQUARFSES-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine
CID 60855495
N-(2-cyclohexylethyl)-1-(4-fluorophenyl)pentan-1-amine
CID 63448264
N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine
CID 43190691
N-[(1-ethylpyrrolidin-3-yl)methyl]pentan-2-amine
CID 60857491
1-(4-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]butan-1-amine
CID 60857570
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 60856851
N-[(1-ethylpyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 60856023
N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylbutan-1-amine
CID 60856064
1-ethyl-N-[1-(4-fluorophenyl)propyl]piperidin-4-amine
CID 54917034
1-(4-fluorophenyl)-N-methoxypentan-1-amine
CID 82706495
3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62643870
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(4-fluorophenyl)acetamide
CID 60856879

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)pentan-1-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)pentan-1-amine (CID 60856525) is N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)pentan-1-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)pentan-1-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)pentan-1-amine is CCCCC(NCC1CCN(CC)C1)c1ccc(F)cc1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)pentan-1-amine?
The InChIKey is ZZDCHLQUARFSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-3-5-6-18(16-7-9-17(19)10-8-16)20-13-15-11-12-21(4-2)14-15/h7-10,15,18,20H,3-6,11-14H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)pentan-1-amine?
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)pentan-1-amine has a molecular weight of 292.44 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)pentan-1-amine is sourced from PubChem (CID 60856525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).