5-(2-fluorophenyl)-3-(1-methylpyrrol-2-yl)pentan-1-amine

C16H21FN2 — CID 112516844

IUPAC5-(2-fluorophenyl)-3-(1-methylpyrrol-2-yl)pentan-1-amine
SMILESCn1cccc1C(CCN)CCc1ccccc1F
InChIInChI=1S/C16H21FN2/c1-19-12-4-7-16(19)14(10-11-18)9-8-13-5-2-3-6-15(13)17/h2-7,12,14H,8-11,18H2,1H3
InChIKeyFYFPJBSUUPJMBI-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.23
Rot. Bonds6

About 5-(2-fluorophenyl)-3-(1-methylpyrrol-2-yl)pentan-1-amine

5-(2-fluorophenyl)-3-(1-methylpyrrol-2-yl)pentan-1-amine (PubChem CID 112516844) has the molecular formula C16H21FN2 and a molecular weight of 260.36 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-3-(1-methylpyrrol-2-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-3-(1-methylpyrrol-2-yl)pentan-1-amine
PubChem CID112516844
Molecular FormulaC16H21FN2
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC Name5-(2-fluorophenyl)-3-(1-methylpyrrol-2-yl)pentan-1-amine
SMILESCn1cccc1C(CCN)CCc1ccccc1F
InChIInChI=1S/C16H21FN2/c1-19-12-4-7-16(19)14(10-11-18)9-8-13-5-2-3-6-15(13)17/h2-7,12,14H,8-11,18H2,1H3
InChIKeyFYFPJBSUUPJMBI-UHFFFAOYSA-N
XLogP3.23
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-methylpyrrol-2-yl)butan-1-amine
CID 82595087
4-(3-fluorophenoxy)-3-(1-methylpyrrol-2-yl)butan-1-amine
CID 112516962
4-(2-fluorophenyl)butan-2-ol
CID 12618518
(1R)-1-(1-methylpyrrol-2-yl)pentane-1,5-diamine
CID 171212571
N-ethyl-3-(2-fluorophenyl)-1-phenylpropan-1-amine
CID 54891295
(2S)-4-(2-fluorophenyl)-N-methylbutan-2-amine
CID 93424532
4-(5-chloro-2-fluorophenyl)-2-phenylbutan-1-amine
CID 103051753
5-amino-1-(2-fluorophenyl)-3-methylpentan-2-one
CID 116594933
1-(3-chlorohexyl)-2-fluorobenzene
CID 63461289
4-(2-methylphenoxy)-2-(1-methylpyrrol-2-yl)butan-1-amine
CID 112516697
3-(4-fluorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol
CID 102106350
N-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 62093310

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-3-(1-methylpyrrol-2-yl)pentan-1-amine?
The IUPAC name of 5-(2-fluorophenyl)-3-(1-methylpyrrol-2-yl)pentan-1-amine (CID 112516844) is 5-(2-fluorophenyl)-3-(1-methylpyrrol-2-yl)pentan-1-amine.
What is the SMILES notation for 5-(2-fluorophenyl)-3-(1-methylpyrrol-2-yl)pentan-1-amine?
The canonical SMILES for 5-(2-fluorophenyl)-3-(1-methylpyrrol-2-yl)pentan-1-amine is Cn1cccc1C(CCN)CCc1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)-3-(1-methylpyrrol-2-yl)pentan-1-amine?
The InChIKey is FYFPJBSUUPJMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2/c1-19-12-4-7-16(19)14(10-11-18)9-8-13-5-2-3-6-15(13)17/h2-7,12,14H,8-11,18H2,1H3.
What are the key properties of 5-(2-fluorophenyl)-3-(1-methylpyrrol-2-yl)pentan-1-amine?
5-(2-fluorophenyl)-3-(1-methylpyrrol-2-yl)pentan-1-amine has a molecular weight of 260.36 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-3-(1-methylpyrrol-2-yl)pentan-1-amine is sourced from PubChem (CID 112516844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).