[1-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine

C17H21FN2S — CID 120780622

IUPAC[1-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(Cc2ccc(F)c(-c3cccs3)c2)C1
InChIInChI=1S/C17H21FN2S/c1-17(11-19)6-7-20(12-17)10-13-4-5-15(18)14(9-13)16-3-2-8-21-16/h2-5,8-9H,6-7,10-12,19H2,1H3
InChIKeyLALDAXVVXJKZAS-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.72
Rot. Bonds4

About [1-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine

[1-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine (PubChem CID 120780622) has the molecular formula C17H21FN2S and a molecular weight of 304.43 g/mol. Its IUPAC name is [1-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
PubChem CID120780622
Molecular FormulaC17H21FN2S
Molecular Weight304.43 g/mol
Exact Mass304.14
IUPAC Name[1-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(Cc2ccc(F)c(-c3cccs3)c2)C1
InChIInChI=1S/C17H21FN2S/c1-17(11-19)6-7-20(12-17)10-13-4-5-15(18)14(9-13)16-3-2-8-21-16/h2-5,8-9H,6-7,10-12,19H2,1H3
InChIKeyLALDAXVVXJKZAS-UHFFFAOYSA-N
XLogP3.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
N-[2-(4-fluorophenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]amine
CID 1817795
N-Methyl-N-(3-thien-3-ylbenzyl)amine
CID 18525825
N-Methyl-N-(3-thien-2-ylbenzyl)amine
CID 18525772
2-(4-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817787
N-[2-(2-fluorophenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]amine
CID 1817793
1-(4-fluorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 94897962
({1-[2-(2-Fluorophenyl)ethyl]-4-piperidinyl}methyl)methyl(3-thienylmethyl)amine
CID 42457179
1-[1-[2-(3,5-difluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 168269702
1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 168274531
1-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 168289606
1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 168292390

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine (CID 120780622) is [1-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine is CC1(CN)CCN(Cc2ccc(F)c(-c3cccs3)c2)C1.
What is the InChIKey of [1-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
The InChIKey is LALDAXVVXJKZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2S/c1-17(11-19)6-7-20(12-17)10-13-4-5-15(18)14(9-13)16-3-2-8-21-16/h2-5,8-9H,6-7,10-12,19H2,1H3.
What are the key properties of [1-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
[1-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine has a molecular weight of 304.43 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120780622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).